Home Halogens methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate

methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate

CAS No.:
42576-02-3
Catalog Number:
AG00BXRU
Molecular Formula:
C14H9Cl2NO5
Molecular Weight:
342.1310
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%(GC)
In Stock USA
United States
$60
- +
1g
98%
In Stock USA
United States
$94
- +
5g
98%
In Stock USA
United States
$375
- +
10g
98%
In Stock USA
United States
$638
- +
Product Description
Catalog Number:
AG00BXRU
Chemical Name:
methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
CAS Number:
42576-02-3
Molecular Formula:
C14H9Cl2NO5
Molecular Weight:
342.1310
MDL Number:
MFCD00055314
IUPAC Name:
methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
InChI:
InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3
InChI Key:
SUSRORUBZHMPCO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl
EC Number:
255-894-7
UNII:
KSB85XT26Y
Properties
Complexity:
417  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.986g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.128g/mol
Monoisotopic Mass:
340.986g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
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Comparative study of human and mouse pregnane X receptor agonistic activity in 200 pesticides using in vitro reporter gene assays. Toxicology 20110227
Induction of SCEs and DNA fragmentation in bovine peripheral lymphocytes by in vitro exposure to tolylfluanid-based fungicide. Genetics and molecular biology 20110101
[Determination of biphenyl ether herbicides in water using HPLC with cloud-point extraction]. Sichuan da xue xue bao. Yi xue ban = Journal of Sichuan University. Medical science edition 20100101
Utility of delayed fluorescence as endpoint for rapid estimation of effect concentration on the green alga Pseudokirchneriella subcapitata. Bulletin of environmental contamination and toxicology 20091001
In vitro screening for aryl hydrocarbon receptor agonistic activity in 200 pesticides using a highly sensitive reporter cell line, DR-EcoScreen cells, and in vivo mouse liver cytochrome P450-1A induction by propanil, diuron and linuron. Chemosphere 20081201
Combining ligand-based pharmacophore modeling, quantitative structure-activity relationship analysis and in silico screening for the discovery of new potent hormone sensitive lipase inhibitors. Journal of medicinal chemistry 20081023
Screening of 397 chemicals and development of a quantitative structure--activity relationship model for androgen receptor antagonism. Chemical research in toxicology 20080401
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
Determination of diphenylether herbicides in water samples by solid-phase microextraction coupled to liquid chromatography. Journal of separation science 20061101
Double-layer effects and distance dependence of electron transfer in reduction of nitro aromatic radical anions. Langmuir : the ACS journal of surfaces and colloids 20060214
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
Properties