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1313712-14-9 | 1H-Pyrrole-3-carboxylic acid, 4-[2-(4-fluorophenyl)ethyl]-, methyl ester
CAS No: 1313712-14-9 Catalog No: AG000W0H MDL No:
Product Description
Catalog Number:
AG000W0H
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 4-[2-(4-fluorophenyl)ethyl]-, methyl ester
CAS Number:
1313712-14-9
Molecular Formula:
C14H14FNO2
Molecular Weight:
247.2649
IUPAC Name:
methyl 4-[2-(4-fluorophenyl)ethyl]-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C14H14FNO2/c1-18-14(17)13-9-16-8-11(13)5-2-10-3-6-12(15)7-4-10/h3-4,6-9,16H,2,5H2,1H3
InChI Key:
XUICAJMFKIEYTM-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]cc1CCc1ccc(cc1)F
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.269g/mol
Monoisotopic Mass:
247.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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