Free Chemical Databases
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[Synonyms]
3,4,5-Tribromobiphenyl
3,4,5-Tribromo-1,1'-biphenyl
115245-08-4
[Structure]
[ Properties Computed from Structure]
Molecular Weight 390.89598 [g/mol] Molecular Formula C12H7Br3 XLogP 6.4 H-Bond Donor 0 H-Bond Acceptor 0 Rotatable Bond Count 1 Exact Mass 389.807741 MonoIsotopic Mass 387.809788 Topological Polar Surface Area 0 Heavy Atom Count 15 Formal Charge 0 Complexity 189 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1,2,3-tribromo-5-phenylbenzene
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=C(C(=C2)Br)Br)Br
InChI: InChI=1/C12H7Br3/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h1-7H
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