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5-fluoranyl-2-methyl-benzoic acid; 1-[(4-fluorophenyl)methyl]pyrrole

5-fluoranyl-2-methyl-benzoic acid; 1-[(4-fluorophenyl)methyl]pyrrole

Systemtic Name:5-fluoranyl-2-methyl-benzoic acid; 1-[(4-fluorophenyl)methyl]pyrrole
Openeye Name:5-fluoro-2-methyl-benzoic acid; 1-[(4-fluorophenyl)methyl]pyrrole
CAS Name:5-fluoro-2-methylbenzoic acid; 1-[(4-fluorophenyl)methyl]pyrrole
IUPAC Name:5-fluoro-2-methylbenzoic acid; 1-[(4-fluorophenyl)methyl]pyrrole
Traditional Name:1-(4-fluorobenzyl)pyrrole; 5-fluoro-2-methyl-benzoic acid
Formula: C19H17F2NO2
MolecularWeight: 329.340586
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)C(=O)O.C1=CN(C=C1)CC2=CC=C(C=C2)F


Isomeric SMILES

CC1=C(C=C(C=C1)F)C(=O)O.C1=CN(C=C1)CC2=CC=C(C=C2)F


InChI

InChI=1S/C11H10FN.C8H7FO2/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13;1-5-2-3-6(9)4-7(5)8(10)11/h1-8H,9H2;2-4H,1H3,(H,10,11)


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