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1246555-47-4 | 1H-Pyrazole-5-carboxylic acid, 1-(2-fluorophenyl)-, ethyl ester
CAS No: 1246555-47-4 Catalog No: AG000MJ2 MDL No:MFCD20526408
Product Description
Catalog Number:
AG000MJ2
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1-(2-fluorophenyl)-, ethyl ester
CAS Number:
1246555-47-4
Molecular Formula:
C12H11FN2O2
Molecular Weight:
234.2263
MDL Number:
MFCD20526408
IUPAC Name:
ethyl 2-(2-fluorophenyl)pyrazole-3-carboxylate
InChI:
InChI=1S/C12H11FN2O2/c1-2-17-12(16)11-7-8-14-15(11)10-6-4-3-5-9(10)13/h3-8H,2H2,1H3
InChI Key:
OSOLUXXFGFTNDS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccnn1c1ccccc1F
Properties
Complexity:
275
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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