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1020240-42-9 | 1H-Pyrazole-5-carboxylic acid, 1-(2,4-difluorophenyl)-3-methyl-
CAS No: 1020240-42-9 Catalog No: AG0006CZ MDL No:
Product Description
Catalog Number:
AG0006CZ
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1-(2,4-difluorophenyl)-3-methyl-
CAS Number:
1020240-42-9
Molecular Formula:
C11H8F2N2O2
Molecular Weight:
238.1902
IUPAC Name:
2-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H8F2N2O2/c1-6-4-10(11(16)17)15(14-6)9-3-2-7(12)5-8(9)13/h2-5H,1H3,(H,16,17)
InChI Key:
STEFYHIRQPGPKF-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)n1nc(cc1C(=O)O)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.055g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.194g/mol
Monoisotopic Mass:
238.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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