| CAS Number | 1807029-15-7 |
| Catalog Number | AG00I05T(AGN-PC-0WCP2Z) |
| Chemical Name | 1-Bromo-2,3-dichloro-4-methylbenzene |
| IUPAC Name | 1-bromo-2,3-dichloro-4-methylbenzene |
| InChI | InChI=1S/C7H5BrCl2/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,1H3 |
| InChI Key | PSBWYSLQUVPSJI-UHFFFAOYSA-N |
| MDL Number | MFCD28737861 |
| Molecular Formula | C7H5BrCl2 |
| Molecular Weight | 239.9246 |
| SMILES | Cc1ccc(c(c1Cl)Cl)Br |
| Synonyms | 4-Bromo-2,3-dichlorotoluene,
1807029-15-7,
1-bromo-2,3-dichloro-4-methylbenzene,
SCHEMBL5273045,
MFCD28737861,
AKOS027271824,
ZINC169195635,
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| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.895g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.921g/mol |
| Monoisotopic Mass | 237.895g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
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