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3-[4-[bis(2-chloroethyl)aminomethyl]phenyl]propanoic acid

3-[4-[bis(2-chloroethyl)aminomethyl]phenyl]propanoic acid

Systemtic Name:3-[4-[bis(2-chloroethyl)aminomethyl]phenyl]propanoic acid
Openeye Name:3-[4-[bis(2-chloroethyl)aminomethyl]phenyl]propanoic acid
CAS Name:3-[4-[bis(2-chloroethyl)aminomethyl]phenyl]propanoic acid
IUPAC Name:3-[4-[bis(2-chloroethyl)aminomethyl]phenyl]propanoic acid
Traditional Name:3-[4-[bis(2-chloroethyl)aminomethyl]phenyl]propionic acid
Formula: C14H19Cl2NO2
MolecularWeight: 304.21216
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H19Cl2NO2/c15-7-9-17(10-8-16)11-13-3-1-12(2-4-13)5-6-14(18)19/h1-4H,5-11H2,(H,18,19)


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