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

Systemtic Name: 4-[bis(2-bromoethyl)amino]phenol; 4-methylbenzoic acid Openeye Name: 4-[bis(2-bromoethyl)amino]phenol; 4-methylbenzoic acid CAS Name: 4-[bis(2-bromoethyl)amino]phenol; 4-methylbenzoic acid IUPAC Name: 4-[bis(2-bromoethyl)amino]phenol; 4-methylbenzoic acid Traditional Name: 4-[bis(2-bromoethyl)amino]phenol; p-toluic acid Formula: C18H21Br2NO3 MolecularWeight: 459.17224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)O.C1=CC(=CC=C1N(CCBr)CCBr)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O.C1=CC(=CC=C1N(CCBr)CCBr)O

InChI

InChI=1S/C10H13Br2NO.C8H8O2/c11-5-7-13(8-6-12)9-1-3-10(14)4-2-9;1-6-2-4-7(5-3-6)8(9)10/h1-4,14H,5-8H2;2-5H,1H3,(H,9,10)