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17332-36-4 | Benzoic acid, 2-[(8-quinolinylamino)carbonyl]-
CAS No: 17332-36-4 Catalog No: AG001YSV MDL No:
Product Description
Catalog Number:
AG001YSV
Chemical Name:
Benzoic acid, 2-[(8-quinolinylamino)carbonyl]-
CAS Number:
17332-36-4
Molecular Formula:
C17H12N2O3
Molecular Weight:
292.2888
IUPAC Name:
2-(quinolin-8-ylcarbamoyl)benzoic acid
InChI:
InChI=1S/C17H12N2O3/c20-16(12-7-1-2-8-13(12)17(21)22)19-14-9-3-5-11-6-4-10-18-15(11)14/h1-10H,(H,19,20)(H,21,22)
InChI Key:
NMTUBTOHMIYNFY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1C(=O)Nc1cccc2c1nccc2
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.085g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.294g/mol
Monoisotopic Mass:
292.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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