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192702-07-1 | 1H-Pyrazole-3-carboxylic acid, 5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-
CAS No: 192702-07-1 Catalog No: AG002G8N MDL No:
Product Description
Catalog Number:
AG002G8N
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-
CAS Number:
192702-07-1
Molecular Formula:
C19H17ClN2O2
Molecular Weight:
340.8035
IUPAC Name:
5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylic acid
InChI:
InChI=1S/C19H17ClN2O2/c1-12-3-5-14(6-4-12)11-22-18(10-17(21-22)19(23)24)15-7-8-16(20)13(2)9-15/h3-10H,11H2,1-2H3,(H,23,24)
InChI Key:
KJHLJHAWRMNMAG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Cn1nc(cc1c1ccc(c(c1)C)Cl)C(=O)O
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.098g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.807g/mol
Monoisotopic Mass:
340.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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