| CAS Number | 55676-89-6 |
| Catalog Number | AG01DWHV(AGN-PC-001XNL) |
| Chemical Name | 1-Chloro-3-(chloromethyl)-2-methylbenzene |
| IUPAC Name | 1-chloro-3-(chloromethyl)-2-methylbenzene |
| InChI | InChI=1S/C8H8Cl2/c1-6-7(5-9)3-2-4-8(6)10/h2-4H,5H2,1H3 |
| InChI Key | HXTMQWIYPHKZSY-UHFFFAOYSA-N |
| MDL Number | MFCD12025001 |
| Molecular Formula | C8H8Cl2 |
| Molecular Weight | 175.0551 |
| SMILES | CC1=C(CCl)C=CC=C1Cl |
| Synonyms | 55676-89-6,
1-chloro-3-(chloromethyl)-2-methylbenzene,
3-chloro-2-methylbenzyl chloride,
Benzene, 1-chloro-3-(chloromethyl)-2-methyl-,
SCHEMBL3119523,
2-Methyl-3-chlorobenzyl chloride,
HXTMQWIYPHKZSY-UHFFFAOYSA-N,
ZINC57935757,
|
| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.052g/mol |
| Monoisotopic Mass | 174g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number