| CAS Number | 3360-45-0 |
| Catalog Number | AG00CQXB(AGN-PC-0NJNKJ) |
| Chemical Name | 4-(Bromomethyl)-1-chloro-2-nitrobenzene |
| IUPAC Name | 4-(bromomethyl)-1-chloro-2-nitrobenzene |
| InChI | InChI=1S/C7H5BrClNO2/c8-4-5-1-2-6(9)7(3-5)10(11)12/h1-3H,4H2 |
| InChI Key | WGDMVIZMGANIGL-UHFFFAOYSA-N |
| MDL Number | MFCD12025138 |
| Molecular Formula | C7H5BrClNO2 |
| Molecular Weight | 250.4771 |
| SMILES | [O-][N+](C1=C(Cl)C=CC(CBr)=C1)=O |
| Synonyms | 4-(BROMOMETHYL)-1-CHLORO-2-NITROBENZENE,
3360-45-0,
4-Chloro-3-nitrobenzylbromide,
SCHEMBL627966,
4-chloro-3-nitrobenzyl bromide,
WGDMVIZMGANIGL-UHFFFAOYSA-N,
ZINC39255780,
RP28912,
Benzene, 4-(bromomethyl)-1-chloro-2-nitro-,
4-bromomethyl-1-chloro-2-nitrobenzene,
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| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.476g/mol |
| Monoisotopic Mass | 248.919g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number