| CAS Number | 1261449-18-6 |
| Catalog Number | AG01A3AX |
| Chemical Name | 1-Bromo-3-(chloromethyl)-2-methylbenzene |
| IUPAC Name | 1-bromo-3-(chloromethyl)-2-methylbenzene |
| InChI | InChI=1S/C8H8BrCl/c1-6-7(5-10)3-2-4-8(6)9/h2-4H,5H2,1H3 |
| InChI Key | RBLQMXTZTSXCJV-UHFFFAOYSA-N |
| MDL Number | MFCD18392018 |
| Molecular Formula | C8H8BrCl |
| Molecular Weight | 219.5061 |
| SMILES | CC1=C(CCl)C=CC=C1Br |
| Synonyms | 1-bromo-3-(chloromethyl)-2-methylbenzene,
1261449-18-6,
SCHEMBL9860948,
3-Bromo-2-methylbenzyl chloride,
ZINC83891091,
AKOS014882526,
NE32654,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.506g/mol |
| Monoisotopic Mass | 217.95g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number