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113808-90-5 | 1-(3-Chloro-phenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
CAS No: 113808-90-5 Catalog No: AG01FGXJ MDL No:
Product Description
Catalog Number:
AG01FGXJ
Chemical Name:
1-(3-Chloro-phenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
CAS Number:
113808-90-5
IUPAC Name:
1-(3-chlorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C12H11ClN2O2/c1-7-11(12(16)17)8(2)15(14-7)10-5-3-4-9(13)6-10/h3-6H,1-2H3,(H,16,17)
InChI Key:
IYVASSHFRHUQIT-UHFFFAOYSA-N
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.682g/mol
Monoisotopic Mass:
250.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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