4-[bis(2-bromoethyl)amino]-3,5-bis(fluoranyl)benzoic acid

Systemtic Name: 4-[bis(2-bromoethyl)amino]-3,5-bis(fluoranyl)benzoic acid Openeye Name: 4-[bis(2-bromoethyl)amino]-3,5-difluoro-benzoic acid CAS Name: 4-[bis(2-bromoethyl)amino]-3,5-difluorobenzoic acid IUPAC Name: 4-[bis(2-bromoethyl)amino]-3,5-difluorobenzoic acid Traditional Name: 4-[bis(2-bromoethyl)amino]-3,5-difluoro-benzoic acid Formula: C11H11Br2F2NO2 MolecularWeight: 387.015346

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1F)N(CCBr)CCBr)F)C(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1F)N(CCBr)CCBr)F)C(=O)O

InChI

InChI=1S/C11H11Br2F2NO2/c12-1-3-16(4-2-13)10-8(14)5-7(11(17)18)6-9(10)15/h5-6H,1-4H2,(H,17,18)