4-[bis(2-bromoethyl)amino]phenol; 4-phenylbenzoic acid

Systemtic Name: 4-[bis(2-bromoethyl)amino]phenol; 4-phenylbenzoic acid Openeye Name: 4-[bis(2-bromoethyl)amino]phenol; 4-phenylbenzoic acid CAS Name: 4-[bis(2-bromoethyl)amino]phenol; 4-phenylbenzoic acid IUPAC Name: 4-[bis(2-bromoethyl)amino]phenol; 4-phenylbenzoic acid Traditional Name: 4-[bis(2-bromoethyl)amino]phenol; 4-phenylbenzoic acid Formula: C23H23Br2NO3 MolecularWeight: 521.24162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O.C1=CC(=CC=C1N(CCBr)CCBr)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O.C1=CC(=CC=C1N(CCBr)CCBr)O

InChI

InChI=1S/C13H10O2.C10H13Br2NO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;11-5-7-13(8-6-12)9-1-3-10(14)4-2-9/h1-9H,(H,14,15);1-4,14H,5-8H2