| CAS Number | 647037-11-4 |
| Catalog Number | AG01BIPJ(AGN-PC-0H2Q09) |
| Chemical Name | 2-(Chloromethyl)-1,3-difluoro-4-methylbenzene |
| IUPAC Name | 2-(chloromethyl)-1,3-difluoro-4-methylbenzene |
| InChI | InChI=1S/C8H7ClF2/c1-5-2-3-7(10)6(4-9)8(5)11/h2-3H,4H2,1H3 |
| InChI Key | WBVSJQJFXIAHHX-UHFFFAOYSA-N |
| MDL Number | MFCD12025239 |
| Molecular Formula | C8H7ClF2 |
| Molecular Weight | 176.5910 |
| SMILES | CC1=C(F)C(CCl)=C(F)C=C1 |
| Synonyms | 647037-11-4,
2-(Chloromethyl)-1,3-difluoro-4-methylbenzene,
Benzene, 2-(chloromethyl)-1,3-difluoro-4-methyl-,
2,6-Difluoro-3-methylbenzyl chloride,
SCHEMBL379227,
CTK2A3669,
DTXSID70735554,
ZINC90496359,
AKOS017517905,
Benzene,2-(chloromethyl)-1,3-difluoro-4-methyl-,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.591g/mol |
| Monoisotopic Mass | 176.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number