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Home Other Building Blocks N-(3-Chlorophenyl)anthranilic acid

N-(3-Chlorophenyl)anthranilic acid

CAS No.:
13278-36-9
Catalog Number:
AG001161
Molecular Formula:
C13H10ClNO2
Molecular Weight:
247.6770
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$50
- +
25g
98%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG001161
Chemical Name:
N-(3-Chlorophenyl)anthranilic acid
CAS Number:
13278-36-9
Molecular Formula:
C13H10ClNO2
Molecular Weight:
247.6770
MDL Number:
MFCD01928172
IUPAC Name:
2-(3-chloroanilino)benzoic acid
InChI:
InChI=1S/C13H10ClNO2/c14-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,(H,16,17)
InChI Key:
OVMWPVYEBVFZHM-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)Nc1ccccc1C(=O)O
EC Number:
603-657-7
UNII:
LW9LF7L96X
NSC Number:
49135
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.04g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
247.678g/mol
Monoisotopic Mass:
247.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  
Literature
Title Journal
Development of potent and selective inhibitors of aldo-keto reductase 1C3 (type 5 17β-hydroxysteroid dehydrogenase) based on N-phenyl-aminobenzoates and their structure-activity relationships. Journal of medicinal chemistry 20120308
Thyroid hormone uptake by hepatocytes: structure-activity relationships of phenylanthranilic acids with inhibitory activity. Journal of medicinal chemistry 19930430
Properties