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1269294-15-6 | 1H-Pyrazole-4-carboxylic acid, 5-fluoro-1-phenyl-, ethyl ester
CAS No: 1269294-15-6 Catalog No: AG000WEX MDL No:MFCD19704858
Product Description
Catalog Number:
AG000WEX
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-fluoro-1-phenyl-, ethyl ester
CAS Number:
1269294-15-6
Molecular Formula:
C12H11FN2O2
Molecular Weight:
234.2263
MDL Number:
MFCD19704858
IUPAC Name:
ethyl 5-fluoro-1-phenylpyrazole-4-carboxylate
InChI:
InChI=1S/C12H11FN2O2/c1-2-17-12(16)10-8-14-15(11(10)13)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChI Key:
KLWAPHJHTJFBAF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1F)c1ccccc1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.23g/mol
Monoisotopic Mass:
234.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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