4-[bis(2-chloroethyl)amino]phenol; 4-bromanylbenzoic acid

Systemtic Name: 4-[bis(2-chloroethyl)amino]phenol; 4-bromanylbenzoic acid Openeye Name: 4-[bis(2-chloroethyl)amino]phenol; 4-bromobenzoic acid CAS Name: 4-[bis(2-chloroethyl)amino]phenol; 4-bromobenzoic acid IUPAC Name: 4-[bis(2-chloroethyl)amino]phenol; 4-bromobenzoic acid Traditional Name: 4-[bis(2-chloroethyl)amino]phenol; 4-bromobenzoic acid Formula: C17H18BrCl2NO3 MolecularWeight: 435.13972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)Br.C1=CC(=CC=C1N(CCCl)CCCl)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)Br.C1=CC(=CC=C1N(CCCl)CCCl)O

InChI

InChI=1S/C10H13Cl2NO.C7H5BrO2/c11-5-7-13(8-6-12)9-1-3-10(14)4-2-9;8-6-3-1-5(2-4-6)7(9)10/h1-4,14H,5-8H2;1-4H,(H,9,10)