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126069-76-9 | Benzeneacetic acid, 2-[(phenylamino)carbonyl]-
CAS No: 126069-76-9 Catalog No: AG000R3F MDL No:
Product Description
Catalog Number:
AG000R3F
Chemical Name:
Benzeneacetic acid, 2-[(phenylamino)carbonyl]-
CAS Number:
126069-76-9
Molecular Formula:
C15H13NO3
Molecular Weight:
255.2686
IUPAC Name:
2-[2-(phenylcarbamoyl)phenyl]acetic acid
InChI:
InChI=1S/C15H13NO3/c17-14(18)10-11-6-4-5-9-13(11)15(19)16-12-7-2-1-3-8-12/h1-9H,10H2,(H,16,19)(H,17,18)
InChI Key:
OHPBHIFNOJKRNJ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccccc1C(=O)Nc1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.273g/mol
Monoisotopic Mass:
255.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. | Journal of medicinal chemistry 20160324 |
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