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82000-25-7 | Benzoic acid, 2-[(1-chloro-2-oxo-2-phenylethylidene)hydrazino]-
CAS No: 82000-25-7 Catalog No: AG0054CC MDL No:
Product Description
Catalog Number:
AG0054CC
Chemical Name:
Benzoic acid, 2-[(1-chloro-2-oxo-2-phenylethylidene)hydrazino]-
CAS Number:
82000-25-7
Molecular Formula:
C15H11ClN2O3
Molecular Weight:
302.7124
IUPAC Name:
2-[2-(1-chloro-2-oxo-2-phenylethylidene)hydrazinyl]benzoic acid
InChI:
InChI=1S/C15H11ClN2O3/c16-14(13(19)10-6-2-1-3-7-10)18-17-12-9-5-4-8-11(12)15(20)21/h1-9,17H,(H,20,21)
InChI Key:
PFDYEIXPQDSGQX-UHFFFAOYSA-N
SMILES:
ClC(=NNc1ccccc1C(=O)O)C(=O)c1ccccc1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.046g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.714g/mol
Monoisotopic Mass:
302.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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