| CAS Number | 339586-05-9 |
| Catalog Number | AG00CLTW(AGN-PC-00KBNH) |
| Chemical Name | 2-(Chloromethyl)-1-fluoro-3-methoxybenzene |
| IUPAC Name | 2-(chloromethyl)-1-fluoro-3-methoxybenzene |
| InChI | InChI=1S/C8H8ClFO/c1-11-8-4-2-3-7(10)6(8)5-9/h2-4H,5H2,1H3 |
| InChI Key | JJCHKLPYNULYDQ-UHFFFAOYSA-N |
| MDL Number | MFCD13185598 |
| Molecular Formula | C8H8ClFO |
| Molecular Weight | 174.5999 |
| SMILES | COc1cccc(c1CCl)F |
| Synonyms | 339586-05-9,
2-(Chloromethyl)-3-fluoroanisole,
2-(Chloromethyl)-1-fluoro-3-methoxybenzene,
2-fluoro-6-methoxybenzyl chloride,
SCHEMBL5045894,
JJCHKLPYNULYDQ-UHFFFAOYSA-N,
ZINC39365088,
AKOS014316461,
2-Chloromethyl-1-fluoro-3-methoxybenzene,
AJ-100014,
V5289,
Benzene, 2-(chloromethyl)-1-fluoro-3-methoxy-,
C8H8ClFO,
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| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.599g/mol |
| Monoisotopic Mass | 174.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number