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879896-84-1 | Benzoic acid, 4-chloro-, 1,3-diphenyl-1H-pyrazol-5-yl ester
CAS No: 879896-84-1 Catalog No: AG004LIR MDL No:
Product Description
Catalog Number:
AG004LIR
Chemical Name:
Benzoic acid, 4-chloro-, 1,3-diphenyl-1H-pyrazol-5-yl ester
CAS Number:
879896-84-1
Molecular Formula:
C22H15ClN2O2
Molecular Weight:
374.8197
IUPAC Name:
(2,5-diphenylpyrazol-3-yl) 4-chlorobenzoate
InChI:
InChI=1S/C22H15ClN2O2/c23-18-13-11-17(12-14-18)22(26)27-21-15-20(16-7-3-1-4-8-16)24-25(21)19-9-5-2-6-10-19/h1-15H
InChI Key:
KHHKMIAQVGBRBZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)Oc1cc(nn1c1ccccc1)c1ccccc1
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.082g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.824g/mol
Monoisotopic Mass:
374.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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