3-[bis(2-chloroethyl)amino]benzoic acid

Systemtic Name: 3-[bis(2-chloroethyl)amino]benzoic acid Openeye Name: 3-[bis(2-chloroethyl)amino]benzoic acid CAS Name: 3-[bis(2-chloroethyl)amino]benzoic acid IUPAC Name: 3-[bis(2-chloroethyl)amino]benzoic acid Traditional Name: 3-[bis(2-chloroethyl)amino]benzoic acid Formula: C11H13Cl2NO2 MolecularWeight: 262.13242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13Cl2NO2/c12-4-6-14(7-5-13)10-3-1-2-9(8-10)11(15)16/h1-3,8H,4-7H2,(H,15,16)