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1020723-91-4 | 1H-Pyrazole-5-carboxylic acid, 1-(2,4-difluorophenyl)-3-propyl-
CAS No: 1020723-91-4 Catalog No: AG0006KU MDL No:
Product Description
Catalog Number:
AG0006KU
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1-(2,4-difluorophenyl)-3-propyl-
CAS Number:
1020723-91-4
Molecular Formula:
C13H12F2N2O2
Molecular Weight:
266.2434
IUPAC Name:
2-(2,4-difluorophenyl)-5-propylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C13H12F2N2O2/c1-2-3-9-7-12(13(18)19)17(16-9)11-5-4-8(14)6-10(11)15/h4-7H,2-3H2,1H3,(H,18,19)
InChI Key:
LTPJRGWZIISDHQ-UHFFFAOYSA-N
SMILES:
CCCc1nn(c(c1)C(=O)O)c1ccc(cc1F)F
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.248g/mol
Monoisotopic Mass:
266.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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