3-[4-[bis(2-chloroethyl)amino]phenyl]propanal

Systemtic Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]propanal Openeye Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]propanal CAS Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]propanal IUPAC Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]propanal Traditional Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]propionaldehyde Formula: C13H17Cl2NO MolecularWeight: 274.18618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC=O)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1CCC=O)N(CCCl)CCCl

InChI

InChI=1S/C13H17Cl2NO/c14-7-9-16(10-8-15)13-5-3-12(4-6-13)2-1-11-17/h3-6,11H,1-2,7-10H2