1,2,3-Tribromo-5-nitrobenzene - CAS 3460-20-6
Catalog: |
BB076838 |
Product Name: |
1,2,3-Tribromo-5-nitrobenzene |
CAS: |
3460-20-6 |
Synonyms: |
3,4,5-Tribromonitrobenzene |
IUPAC Name: | 1,2,3-tribromo-5-nitrobenzene |
Description: | 1,2,3-Tribromo-5-nitrobenzene is used as a reagent to synthesize various polybrominated biphenyls to use as fire retardents. |
Molecular Weight: | 359.8 |
Molecular Formula: | C6H2Br3NO2 |
Canonical SMILES: | C1=C(C=C(C(=C1Br)Br)Br)[N+](=O)[O-] |
InChI: | InChI=1S/C6H2Br3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H |
InChI Key: | AKLYERMMCABILW-UHFFFAOYSA-N |
References: | Kubiczak, G., et al. J. Agr. Food Chem., 37, 1160 (1989). |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 358.76152 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 356.76357 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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