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1020724-01-9 | 1H-Pyrazole-5-carboxylic acid, 1-(2,4-difluorophenyl)-3-(2-methylpropyl)-
CAS No: 1020724-01-9 Catalog No: AG0006KT MDL No:
Product Description
Catalog Number:
AG0006KT
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1-(2,4-difluorophenyl)-3-(2-methylpropyl)-
CAS Number:
1020724-01-9
Molecular Formula:
C14H14F2N2O2
Molecular Weight:
280.2700
IUPAC Name:
2-(2,4-difluorophenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C14H14F2N2O2/c1-8(2)5-10-7-13(14(19)20)18(17-10)12-4-3-9(15)6-11(12)16/h3-4,6-8H,5H2,1-2H3,(H,19,20)
InChI Key:
DXDLXEPIZZUBAW-UHFFFAOYSA-N
SMILES:
CC(Cc1nn(c(c1)C(=O)O)c1ccc(cc1F)F)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.102g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.275g/mol
Monoisotopic Mass:
280.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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