| CAS Number | 93213-79-7 |
| Catalog Number | AG0039HC(AGN-PC-024W0C) |
| Chemical Name | Benzene, 2-(bromomethyl)-3,4-dichloro-1-nitro- |
| IUPAC Name | 3-(bromomethyl)-1,2-dichloro-4-nitrobenzene |
| InChI | InChI=1S/C7H4BrCl2NO2/c8-3-4-6(11(12)13)2-1-5(9)7(4)10/h1-2H,3H2 |
| InChI Key | PNXFVIUEJUUQGZ-UHFFFAOYSA-N |
| MDL Number | MFCD22043898 |
| Molecular Formula | C7H4BrCl2NO2 |
| Molecular Weight | 284.9222 |
| SMILES | [O-][N+](=O)c1ccc(Cl)c(Cl)c1CBr |
| Synonyms | 2-(bromomethyl)-3,4-dichloro-1-nitrobenzene,
93213-79-7,
3-(bromomethyl)-1,2-dichloro-4-nitrobenzene,
SCHEMBL278628,
KS-00001BJ6,
MFCD22043898,
ZINC113466259,
FCH2410575,
TZ000883,
CS-0038101,
1,2-Dichloro-3-(bromomethyl)-4-nitrobenzene,
Benzene, 2-(bromomethyl)-3,4-dichloro-1-nitro-,
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| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.88g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.918g/mol |
| Monoisotopic Mass | 282.88g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number