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871366-56-2 | Benzoic acid, 4-[4-(4-chlorophenyl)-1H-pyrazol-1-yl]-
CAS No: 871366-56-2 Catalog No: AG004TC1 MDL No:MFCD02579341
Product Description
Catalog Number:
AG004TC1
Chemical Name:
Benzoic acid, 4-[4-(4-chlorophenyl)-1H-pyrazol-1-yl]-
CAS Number:
871366-56-2
Molecular Formula:
C16H11ClN2O2
Molecular Weight:
298.7237
MDL Number:
MFCD02579341
IUPAC Name:
4-[4-(4-chlorophenyl)pyrazol-1-yl]benzoic acid
InChI:
InChI=1S/C16H11ClN2O2/c17-14-5-1-11(2-6-14)13-9-18-19(10-13)15-7-3-12(4-8-15)16(20)21/h1-10H,(H,20,21)
InChI Key:
CSDGKFGDWSKXIS-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cnn(c1)c1ccc(cc1)C(=O)O
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.726g/mol
Monoisotopic Mass:
298.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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