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100086-63-3 | Benzoic acid, 2-[(2-oxo-1,2-diphenylethyl)amino]-
CAS No: 100086-63-3 Catalog No: AG0000VF MDL No:
Product Description
Catalog Number:
AG0000VF
Chemical Name:
Benzoic acid, 2-[(2-oxo-1,2-diphenylethyl)amino]-
CAS Number:
100086-63-3
Molecular Formula:
C21H17NO3
Molecular Weight:
331.3646
IUPAC Name:
2-[(2-oxo-1,2-diphenylethyl)amino]benzoic acid
InChI:
InChI=1S/C21H17NO3/c23-20(16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)22-18-14-8-7-13-17(18)21(24)25/h1-14,19,22H,(H,24,25)
InChI Key:
XSXSWVKBFCPPFK-UHFFFAOYSA-N
SMILES:
O=C(C(c1ccccc1)Nc1ccccc1C(=O)O)c1ccccc1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.121g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.371g/mol
Monoisotopic Mass:
331.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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