1-[2-[bis(2-chloroethyl)amino]phenyl]propan-1-one hydrochloride

Systemtic Name: 1-[2-[bis(2-chloroethyl)amino]phenyl]propan-1-one hydrochloride Openeye Name: 1-[2-[bis(2-chloroethyl)amino]phenyl]propan-1-one hydrochloride CAS Name: 1-[2-[bis(2-chloroethyl)amino]phenyl]-1-propanone hydrochloride IUPAC Name: 1-[2-[bis(2-chloroethyl)amino]phenyl]propan-1-one hydrochloride Traditional Name: 1-[2-[bis(2-chloroethyl)amino]phenyl]propan-1-one hydrochloride Formula: C13H18Cl3NO MolecularWeight: 310.64712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1N(CCCl)CCCl.Cl

Isomeric SMILES

CCC(=O)C1=CC=CC=C1N(CCCl)CCCl.Cl

InChI

InChI=1S/C13H17Cl2NO.ClH/c1-2-13(17)11-5-3-4-6-12(11)16(9-7-14)10-8-15;/h3-6H,2,7-10H2,1H3;1H