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200417-47-6 | Benzoic acid, 2-[[(4-methyl-2-pyridinyl)amino]carbonyl]-
CAS No: 200417-47-6 Catalog No: AG002CRA MDL No:
Product Description
Catalog Number:
AG002CRA
Chemical Name:
Benzoic acid, 2-[[(4-methyl-2-pyridinyl)amino]carbonyl]-
CAS Number:
200417-47-6
Molecular Formula:
C14H12N2O3
Molecular Weight:
256.2567
IUPAC Name:
2-[(4-methylpyridin-2-yl)carbamoyl]benzoic acid
InChI:
InChI=1S/C14H12N2O3/c1-9-6-7-15-12(8-9)16-13(17)10-4-2-3-5-11(10)14(18)19/h2-8H,1H3,(H,18,19)(H,15,16,17)
InChI Key:
WKOWTLQKRGLXNU-UHFFFAOYSA-N
SMILES:
Cc1ccnc(c1)NC(=O)c1ccccc1C(=O)O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.261g/mol
Monoisotopic Mass:
256.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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