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

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

Systemtic Name:4-[bis(2-bromoethyl)amino]phenol; 4-(trifluoromethyl)benzoic acid
Openeye Name:4-[bis(2-bromoethyl)amino]phenol; 4-(trifluoromethyl)benzoic acid
CAS Name:4-[bis(2-bromoethyl)amino]phenol; 4-(trifluoromethyl)benzoic acid
IUPAC Name:4-[bis(2-bromoethyl)amino]phenol; 4-(trifluoromethyl)benzoic acid
Traditional Name:4-[bis(2-bromoethyl)amino]phenol; 4-(trifluoromethyl)benzoic acid
Formula: C18H18Br2F3NO3
MolecularWeight: 513.14363
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)C(F)(F)F.C1=CC(=CC=C1N(CCBr)CCBr)O


Isomeric SMILES

C1=CC(=CC=C1C(=O)O)C(F)(F)F.C1=CC(=CC=C1N(CCBr)CCBr)O


InChI

InChI=1S/C10H13Br2NO.C8H5F3O2/c11-5-7-13(8-6-12)9-1-3-10(14)4-2-9;9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4,14H,5-8H2;1-4H,(H,12,13)


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