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88696-84-8 | 1H-Pyrazole-4-acetic acid, 1,3-bis(4-chlorophenyl)-
CAS No: 88696-84-8 Catalog No: AG0046IV MDL No:
Product Description
Catalog Number:
AG0046IV
Chemical Name:
1H-Pyrazole-4-acetic acid, 1,3-bis(4-chlorophenyl)-
CAS Number:
88696-84-8
Molecular Formula:
C17H12Cl2N2O2
Molecular Weight:
347.1954
IUPAC Name:
2-[1,3-bis(4-chlorophenyl)pyrazol-4-yl]acetic acid
InChI:
InChI=1S/C17H12Cl2N2O2/c18-13-3-1-11(2-4-13)17-12(9-16(22)23)10-21(20-17)15-7-5-14(19)6-8-15/h1-8,10H,9H2,(H,22,23)
InChI Key:
WBOASHALUMJCFJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1cc(c(n1)c1ccc(cc1)Cl)CC(=O)O
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.028g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.195g/mol
Monoisotopic Mass:
346.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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