| CAS Number | 1126425-84-0 |
| Catalog Number | AG009LXA(AGN-PC-0H32EC) |
| Chemical Name | 1-Bromo-3-iodo-2-nitrobenzene |
| IUPAC Name | 1-bromo-3-iodo-2-nitrobenzene |
| InChI | InChI=1S/C6H3BrINO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H |
| InChI Key | CMXDVNRQFNSTCY-UHFFFAOYSA-N |
| MDL Number | MFCD18391758 |
| Molecular Formula | C6H3BrINO2 |
| Molecular Weight | 327.9020 |
| SMILES | O=[N+](C1=C(I)C=CC=C1Br)[O-] |
| Synonyms | 1-BROMO-3-IODO-2-NITROBENZENE,
1126425-84-0,
2-Bromo-6-iodonitrobenzene,
SCHEMBL1056952,
MFCD18391758,
ZINC95642979,
FCH1370064,
AS-41506,
OR400080,
AX8267068,
X-1539,
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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