4-Bromo-2-iodonitrobenzene - CAS 343864-78-8
Catalog: |
BB072149 |
Product Name: |
4-Bromo-2-iodonitrobenzene |
CAS: |
343864-78-8 |
Synonyms: |
4-Bromo-2-iodo-1-nitrobenzene; 4-Bromo-2-iodonitrobenzene; 4-Bromo-2-iodo-1-nitro-benzene; Benzene, 4-bromo-2-iodo-1-nitro-; 1-Nitro-2-iodo-4-bromobenzene |
IUPAC Name: | 4-bromo-2-iodo-1-nitrobenzene |
Molecular Weight: | 327.9 |
Molecular Formula: | C6H3BrINO2 |
Canonical SMILES: | C1=CC(=C(C=C1Br)I)[N+](=O)[O-] |
InChI: | InChI=1S/C6H3BrINO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H |
InChI Key: | VWDMDPDGACOPSR-UHFFFAOYSA-N |
References: | Cantillo, D. et al. J. Org. Chem., 78, 4530 (2013); Yadav, G. et al. Chem. Eng. J., 221, 500 (2013). |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 326.83919 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 326.83919 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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