| CAS Number | 713512-18-6 |
| Catalog Number | AG00FHUN(AGN-PC-044FG2) |
| Chemical Name | 1-Bromo-4-iodo-2-nitrobenzene |
| IUPAC Name | 1-bromo-4-iodo-2-nitrobenzene |
| InChI | InChI=1S/C6H3BrINO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H |
| InChI Key | JKIQXEOUGXCWLB-UHFFFAOYSA-N |
| MDL Number | MFCD12547765 |
| Molecular Formula | C6H3BrINO2 |
| Molecular Weight | 327.9020 |
| SMILES | BrC1=C(C=C(C=C1)I)[N+](=O)[O-] |
| Synonyms | 1-bromo-4-iodo-2-nitrobenzene,
713512-18-6,
2-Bromo-5-iodonitrobenzene,
Brownish/orange solid,
SCHEMBL234120,
1-Bromo-4-iodo-2-nitro-benzene,
MFCD12547765,
ZINC40571390,
AKOS017552262,
PS-10603,
FT-0715148,
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| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.839g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.903g/mol |
| Monoisotopic Mass | 326.839g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number