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113342-32-8 | 5-(4-chloro-3-methylphenyl)-1H-pyrazole-3-carboxylic acid
CAS No: 113342-32-8 Catalog No: AG01FPF7 MDL No:MFCD05170211
Product Description
Catalog Number:
AG01FPF7
Chemical Name:
5-(4-chloro-3-methylphenyl)-1H-pyrazole-3-carboxylic acid
CAS Number:
113342-32-8
MDL Number:
MFCD05170211
IUPAC Name:
3-(4-chloro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C11H9ClN2O2/c1-6-4-7(2-3-8(6)12)9-5-10(11(15)16)14-13-9/h2-5H,1H3,(H,13,14)(H,15,16)
InChI Key:
DOURQYNJNHGVSM-UHFFFAOYSA-N
Properties
Complexity:
275
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:
2
Isotope Atom Count:
0
Molecular Weight:
236.655g/mol
Monoisotopic Mass:
236.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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