| CAS Number | 139194-80-2 |
| Catalog Number | AG001AHB(AGN-PC-002TXH) |
| Chemical Name | Benzene, 1-bromo-3-(bromomethyl)-5-nitro- |
| IUPAC Name | 1-bromo-3-(bromomethyl)-5-nitrobenzene |
| InChI | InChI=1S/C7H5Br2NO2/c8-4-5-1-6(9)3-7(2-5)10(11)12/h1-3H,4H2 |
| InChI Key | LUTXVMDOMLHNIX-UHFFFAOYSA-N |
| MDL Number | MFCD11040230 |
| Molecular Formula | C7H5Br2NO2 |
| Molecular Weight | 294.9281 |
| SMILES | O=[N+](C1=CC(Br)=CC(CBr)=C1)[O-] |
| Synonyms | 139194-80-2,
1-BROMO-3-(BROMOMETHYL)-5-NITROBENZENE,
3-Bromo-5-nitrobenzyl bromide,
Benzene, 1-bromo-3-(bromomethyl)-5-nitro-,
3-Bromo-5-(bromomethyl)nitrobenzene,
ACMC-1C4XR,
SCHEMBL602087,
CTK0F2600,
DTXSID90564823,
LUTXVMDOMLHNIX-UHFFFAOYSA-N,
MFCD11040230,
ZINC34386125,
AKOS028114035,
PS-9860,
SC-33228,
A1-00916,
1-BROMO-3- -5-NITROBENZENE,
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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
Lot Number