| CAS Number | 939-82-2 |
| Catalog Number | AG01BHWN(AGN-PC-0NCJ5O) |
| Chemical Name | 1-Bromo-2-(bromomethyl)-4-nitrobenzene |
| IUPAC Name | 1-bromo-2-(bromomethyl)-4-nitrobenzene |
| InChI | InChI=1S/C7H5Br2NO2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,4H2 |
| InChI Key | VRBRXANSVKZSAK-UHFFFAOYSA-N |
| MDL Number | MFCD12025204 |
| Molecular Formula | C7H5Br2NO2 |
| Molecular Weight | 294.9281 |
| SMILES | [O-][N+](C1=CC(CBr)=C(Br)C=C1)=O |
| Synonyms | 1-bromo-2-(bromomethyl)-4-nitrobenzene,
939-82-2,
SCHEMBL532452,
VRBRXANSVKZSAK-UHFFFAOYSA-N,
4-Bromo-3-(bromomethyl)nitrobenzene,
ZINC34556293,
AKOS015969506,
Benzene, 1-bromo-2-(bromomethyl)-4-nitro-,
CID10902501,
1-bromo-2-(bromomethyl)-4-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 |
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Certificate of Analysis
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