4-({[(5-fluorothiophen-2-yl)methyl]amino}methyl)benzoic acid hydrochloride

CAS: 1856086-27-5

Formula: C13H13ClFNO2S

SMILES: Cl.OC(=O)C1=CC=C(CNCC2=CC=C(F)S2)C=C1

IUPAC: 4-({[(5-fluorothiophen-2-yl)methyl]amino}methyl)benzoic acid hydrochloride

InChI: InChI=1S/C13H12FNO2S.ClH/c14-12-6-5-11(18-12)8-15-7-9-1-3-10(4-2-9)13(16)17;/h1-6,15H,7-8H2,(H,16,17);1H

Composition: C (51.74%), H (4.34%), Cl (11.75%), F (6.30%), N (4.64%), O (10.60%), S (10.62%)

Molar Mass: 301.76

Atom Count: 32

Heavy Atom Count: 19