| CAS Number | 82617-49-0 |
| Catalog Number | AG008K64(AGN-PC-0NFBLG) |
| Chemical Name | 2-Bromo-1-(bromomethyl)-3-nitrobenzene |
| IUPAC Name | 2-bromo-1-(bromomethyl)-3-nitrobenzene |
| InChI | InChI=1S/C7H5Br2NO2/c8-4-5-2-1-3-6(7(5)9)10(11)12/h1-3H,4H2 |
| InChI Key | IMFSHMCSISIQIN-UHFFFAOYSA-N |
| MDL Number | MFCD18390263 |
| Molecular Formula | C7H5Br2NO2 |
| Molecular Weight | 294.9281 |
| SMILES | [O-][N+](C1=C(Br)C(CBr)=CC=C1)=O |
| Synonyms | 2-bromo-1-(bromomethyl)-3-nitrobenzene,
82617-49-0,
2-bromo-1-bromomethyl-3-nitrobenzene,
2-Bromo-3-nitrobenzyl bromide,
SCHEMBL1232315,
CTK3D8161,
DTXSID10454015,
IMFSHMCSISIQIN-UHFFFAOYSA-N,
2-Bromo-3-(bromomethyl)nitrobenzene,
MFCD18390263,
ZINC79063929,
AKOS027370471,
PS-9861,
1-(Bromomethyl)-2-bromo-3-nitrobenzene,
Benzene, 2-bromo-1-(bromomethyl)-3-nitro-,
FT-0747478,
CID11066342,
2-bromo-1-(bromomethyl)-3-nitro-benzene,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.867g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.93g/mol |
| Monoisotopic Mass | 292.869g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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