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10166-40-2

10166-40-2 | Benzoic acid, 2-[(2-iodophenyl)amino]-

CAS No: 10166-40-2 Catalog No: AG00054E MDL No:

Product Description

Catalog Number:
AG00054E
Chemical Name:
Benzoic acid, 2-[(2-iodophenyl)amino]-
CAS Number:
10166-40-2
Molecular Formula:
C13H10INO2
Molecular Weight:
339.1285
IUPAC Name:
2-(2-iodoanilino)benzoic acid
InChI:
InChI=1S/C13H10INO2/c14-10-6-2-4-8-12(10)15-11-7-3-1-5-9(11)13(16)17/h1-8,15H,(H,16,17)
InChI Key:
KWWDONSFOGGYSE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Nc1ccccc1I

Properties

Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.976g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
339.132g/mol
Monoisotopic Mass:
338.976g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  

Literature

Title Journal
The discovery of the benzhydroxamate MEK inhibitors CI-1040 and PD 0325901. Bioorganic & medicinal chemistry letters 20081215

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