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126129-22-4 | 1H-Pyrazole-3-carboxylic acid, 1-(4-chlorophenyl)-5-methyl-
CAS No: 126129-22-4 Catalog No: AG000RQA MDL No:MFCD08443791
Product Description
Catalog Number:
AG000RQA
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 1-(4-chlorophenyl)-5-methyl-
CAS Number:
126129-22-4
Molecular Formula:
C11H9ClN2O2
Molecular Weight:
236.6544
MDL Number:
MFCD08443791
IUPAC Name:
1-(4-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H9ClN2O2/c1-7-6-10(11(15)16)13-14(7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,15,16)
InChI Key:
GXRKKZGRDQQESI-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1nc(cc1C)C(=O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.655g/mol
Monoisotopic Mass:
236.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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