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20273-54-5 | 2-Propenoic acid, 2-(benzoylamino)-3-(2-chlorophenyl)-
CAS No: 20273-54-5 Catalog No: AG0028DE MDL No:MFCD23135428
Product Description
Catalog Number:
AG0028DE
Chemical Name:
2-Propenoic acid, 2-(benzoylamino)-3-(2-chlorophenyl)-
CAS Number:
20273-54-5
Molecular Formula:
C16H12ClNO3
Molecular Weight:
301.7244
MDL Number:
MFCD23135428
IUPAC Name:
(Z)-2-benzamido-3-(2-chlorophenyl)prop-2-enoic acid
InChI:
InChI=1S/C16H12ClNO3/c17-13-9-5-4-8-12(13)10-14(16(20)21)18-15(19)11-6-2-1-3-7-11/h1-10H,(H,18,19)(H,20,21)/b14-10-
InChI Key:
OAVUBTCYNAPJIB-UVTDQMKNSA-N
SMILES:
OC(=O)C(=Cc1ccccc1Cl)NC(=O)c1ccccc1
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
301.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.726g/mol
Monoisotopic Mass:
301.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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