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156575-51-8 | 1H-Pyrrole-2-carboxylic acid, 4-fluoro-5-phenyl-, ethyl ester
CAS No: 156575-51-8 Catalog No: AG001OT2 MDL No:
Product Description
Catalog Number:
AG001OT2
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 4-fluoro-5-phenyl-, ethyl ester
CAS Number:
156575-51-8
Molecular Formula:
C13H12FNO2
Molecular Weight:
233.2383
IUPAC Name:
ethyl 4-fluoro-5-phenyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C13H12FNO2/c1-2-17-13(16)11-8-10(14)12(15-11)9-6-4-3-5-7-9/h3-8,15H,2H2,1H3
InChI Key:
TUQYVRIWPRPCAV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(c([nH]1)c1ccccc1)F
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.242g/mol
Monoisotopic Mass:
233.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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