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288251-64-9 | 1H-Pyrazole-5-carboxylic acid, 1-(4-fluorophenyl)-3-methyl-, ethyl ester
CAS No: 288251-64-9 Catalog No: AG002WO0 MDL No:MFCD06408993
Product Description
Catalog Number:
AG002WO0
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1-(4-fluorophenyl)-3-methyl-, ethyl ester
CAS Number:
288251-64-9
Molecular Formula:
C13H13FN2O2
Molecular Weight:
248.2529
MDL Number:
MFCD06408993
IUPAC Name:
ethyl 2-(4-fluorophenyl)-5-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C13H13FN2O2/c1-3-18-13(17)12-8-9(2)15-16(12)11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3
InChI Key:
GOZFWWAPHFHDFV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(nn1c1ccc(cc1)F)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.257g/mol
Monoisotopic Mass:
248.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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