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Home Halogens Benzoic acid, 3-amino-2,5-dichloro-

Benzoic acid, 3-amino-2,5-dichloro-

CAS No.:
133-90-4
Catalog Number:
AG0011I4
Molecular Formula:
C7H5Cl2NO2
Molecular Weight:
206.0261
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
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United States
$164
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Product Description
Catalog Number:
AG0011I4
Chemical Name:
Benzoic acid, 3-amino-2,5-dichloro-
CAS Number:
133-90-4
Molecular Formula:
C7H5Cl2NO2
Molecular Weight:
206.0261
MDL Number:
MFCD00065093
IUPAC Name:
3-amino-2,5-dichlorobenzoic acid
InChI:
InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)
InChI Key:
HSSBORCLYSCBJR-UHFFFAOYSA-N
SMILES:
Clc1cc(N)c(c(c1)C(=O)O)Cl
EC Number:
205-123-5
UNII:
EWG424FFB5
UN Number:
3077
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.97g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
206.022g/mol
Monoisotopic Mass:
204.97g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
[The study of vibrational spectra of 3-amino-2, 5-dichlorobenzoic acid by density functional theory]. Guang pu xue yu guang pu fen xi = Guang pu 20110701
Study on QSTR of benzoic acid compounds with MCI. International journal of molecular sciences 20100101
Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors. Journal of medicinal chemistry 20081113
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
In vitro binding of 14C-labeled acidic compounds to serum albumin and their tissue distribution in the rat. Journal of pharmacokinetics and biopharmaceutics 19801201
Properties