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176969-34-9 | 1H-Pyrazole-4-carboxylic acid, 3-(difluoromethyl)-1-methyl-
CAS No: 176969-34-9 Catalog No: AG00250V MDL No:MFCD11865267
Product Description
Catalog Number:
AG00250V
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3-(difluoromethyl)-1-methyl-
CAS Number:
176969-34-9
Molecular Formula:
C6H6F2N2O2
Molecular Weight:
176.1208
MDL Number:
MFCD11865267
IUPAC Name:
3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)
InChI Key:
RLOHOBNEYHBZID-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1)C(=O)O)C(F)F
EC Number:
700-093-4
UNII:
20527OAN56
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.123g/mol
Monoisotopic Mass:
176.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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