2,3,4,4',5-Pentabromobiphenyl - CAS 96551-70-1
Catalog: |
BB058328 |
Product Name: |
2,3,4,4',5-Pentabromobiphenyl |
CAS: |
96551-70-1 |
Synonyms: |
1,2,3,4-Tetrabromo-5-(4-bromophenyl)benzene |
IUPAC Name: | 1,2,3,4-tetrabromo-5-(4-bromophenyl)benzene |
Description: | 2,3,4,4',5-Pentabromobiphenyl is a reagent used in the preparation of fireproofing agents. |
Molecular Weight: | 548.69 |
Molecular Formula: | C12H5Br5 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC(=C(C(=C2Br)Br)Br)Br)Br |
InChI: | InChI=1S/C12H5Br5/c13-7-3-1-6(2-4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H |
InChI Key: | BUBFPVURMRYUJF-UHFFFAOYSA-N |
References: | Kubiczak, G. A., et al. J. Agric. Food Chem., 37, 1160 (1989). |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 547.62671 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 543.63081 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7 |
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