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1020723-82-3 | 1H-Pyrazole-5-carboxylic acid, 1-(2,4-difluorophenyl)-3-ethyl-
CAS No: 1020723-82-3 Catalog No: AG0006KV MDL No:
Product Description
Catalog Number:
AG0006KV
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1-(2,4-difluorophenyl)-3-ethyl-
CAS Number:
1020723-82-3
Molecular Formula:
C12H10F2N2O2
Molecular Weight:
252.2168
IUPAC Name:
2-(2,4-difluorophenyl)-5-ethylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C12H10F2N2O2/c1-2-8-6-11(12(17)18)16(15-8)10-4-3-7(13)5-9(10)14/h3-6H,2H2,1H3,(H,17,18)
InChI Key:
YJZOGPLEJUFLSH-UHFFFAOYSA-N
SMILES:
CCc1nn(c(c1)C(=O)O)c1ccc(cc1F)F
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.221g/mol
Monoisotopic Mass:
252.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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