| CAS Number | 80141-92-0 |
| Catalog Number | AG01ACFS(AGN-PC-02UREK) |
| Chemical Name | 1-(Chloromethyl)-4-fluoro-2-methylbenzene |
| IUPAC Name | 1-(chloromethyl)-4-fluoro-2-methylbenzene |
| InChI | InChI=1S/C8H8ClF/c1-6-4-8(10)3-2-7(6)5-9/h2-4H,5H2,1H3 |
| InChI Key | BQQAXQSWBZWPAQ-UHFFFAOYSA-N |
| MDL Number | MFCD11846575 |
| Molecular Formula | C8H8ClF |
| Molecular Weight | 158.6005 |
| SMILES | CC1=C(CCl)C=CC(F)=C1 |
| Synonyms | 1-(CHLOROMETHYL)-4-FLUORO-2-METHYLBENZENE,
80141-92-0,
SCHEMBL4257563,
4-Fluoro-2-methylbenzyl chloride,
BQQAXQSWBZWPAQ-UHFFFAOYSA-N,
ZINC50580297,
AKOS011414208,
NE38847,
SC-61419,
FT-0708558,
Benzene, 1-(chloromethyl)-4-fluoro-2-methyl-,
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| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.6g/mol |
| Monoisotopic Mass | 158.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number