| CAS Number | 34896-68-9 |
| Catalog Number | AG00I6WD(AGN-PC-0WRA4C) |
| Chemical Name | 1-Chloro-2-(chloromethyl)-4-methylbenzene |
| IUPAC Name | 1-chloro-2-(chloromethyl)-4-methylbenzene |
| InChI | InChI=1S/C8H8Cl2/c1-6-2-3-8(10)7(4-6)5-9/h2-4H,5H2,1H3 |
| InChI Key | PYEZGJNZDIRIIM-UHFFFAOYSA-N |
| MDL Number | MFCD12025216 |
| Molecular Formula | C8H8Cl2 |
| Molecular Weight | 175.0551 |
| SMILES | CC1=CC=C(Cl)C(CCl)=C1 |
| Synonyms | 1-chloro-2-(chloromethyl)-4-methylbenzene,
34896-68-9,
Benzene, 4-chloro-3-(chloromethyl)-1-methyl,
AC1LAZA2,
SCHEMBL16752294,
2-Chloro-5-methylbenzyl chloride,
PYEZGJNZDIRIIM-UHFFFAOYSA-N,
ZINC111355327,
2-chloro-5-methyl-benzyl chloride,
CID524356,
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| 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 |
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Certificate of Analysis
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