Home Halogens Benzeneacetic acid, 4-bromo-α-(4-bromophenyl)-α-hydroxy-, 1-methylethyl ester

Benzeneacetic acid, 4-bromo-α-(4-bromophenyl)-α-hydroxy-, 1-methylethyl ester

CAS No.:
18181-80-1
Catalog Number:
AG002341
Molecular Formula:
C17H16Br2O3
Molecular Weight:
428.1151
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002341
Chemical Name:
Benzeneacetic acid, 4-bromo-α-(4-bromophenyl)-α-hydroxy-, 1-methylethyl ester
CAS Number:
18181-80-1
Molecular Formula:
C17H16Br2O3
Molecular Weight:
428.1151
MDL Number:
MFCD00078632
IUPAC Name:
propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate
InChI:
InChI=1S/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3
InChI Key:
FOANIXZHAMJWOI-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)O)C
EC Number:
242-070-7
UNII:
3U468ZM257
Properties
Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.945g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
428.12g/mol
Monoisotopic Mass:
425.947g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Literature
Title Journal
Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay. Toxicology in vitro : an international journal published in association with BIBRA 20180201
Widely used pesticides with previously unknown endocrine activity revealed as in vitro antiandrogens. Environmental health perspectives 20110601
Comparative study of human and mouse pregnane X receptor agonistic activity in 200 pesticides using in vitro reporter gene assays. Toxicology 20110227
Preparation of activated carbons from agricultural residues for pesticide adsorption. Chemosphere 20100901
Compatibility of traditional and novel acaricides with bumblebees (Bombus terrestris): a first laboratory assessment of toxicity and sublethal effects. Pest management science 20100701
Evaluation of immunoassays as an alternative for the rapid determination of pesticides in wine and grape samples. Journal of AOAC International 20100101
Development of an enzyme-linked immunosorbent assay for determination of the miticide bromopropylate. Journal of agricultural and food chemistry 20090128
Estimating half-lives of pesticides in/on vegetation for use in multimedia fate and exposure models. Chemosphere 20080201
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
Screening for estrogen and androgen receptor activities in 200 pesticides by in vitro reporter gene assays using Chinese hamster ovary cells. Environmental health perspectives 20040401
Determination of impurities in pesticides and their degradation products formed during the wine-making process by solid-phase extraction and gas chromatography with detection by electron ionization mass spectrometry. II. Bromopropylate, trichlorphon, parathion-methyl and tebuconazole. Rapid communications in mass spectrometry : RCM 20040101
Rapid multi-residue method for the determination of azinphos methyl, bromopropylate, chlorpyrifos, dimethoate, parathion methyl and phosalone in apricots and peaches by using negative chemical ionization ion trap technology. Journal of chromatography. A 20030509
Promotion of altered hepatic foci development in rat liver, cytochrome P450 enzyme induction and inhibition of cell-cell communication by DDT and some structurally related organohalogen pesticides. Carcinogenesis 19900801
Properties