| CAS Number | 852706-06-0 |
| Catalog Number | AG019O6T(AGN-PC-0LK8X5) |
| Chemical Name | 4-(Chloromethyl)-1-(difluoromethoxy)-2-methoxybenzene |
| IUPAC Name | 4-(chloromethyl)-1-(difluoromethoxy)-2-methoxybenzene |
| InChI | InChI=1S/C9H9ClF2O2/c1-13-8-4-6(5-10)2-3-7(8)14-9(11)12/h2-4,9H,5H2,1H3 |
| InChI Key | YLTANSJPESYTNP-UHFFFAOYSA-N |
| MDL Number | MFCD06655582 |
| Molecular Formula | C9H9ClF2O2 |
| Molecular Weight | 222.6164 |
| SMILES | COC1=C(OC(F)F)C=CC(CCl)=C1 |
| Synonyms | 4-(chloromethyl)-1-(difluoromethoxy)-2-methoxybenzene,
852706-06-0,
AC1NLQ6V,
AC1Q46DP,
SCHEMBL5024938,
CTK6J7741,
YLTANSJPESYTNP-UHFFFAOYSA-N,
ZINC4206018,
MFCD06655582,
AKOS008987455,
NE58457,
EN300-12949,
ZINC04206018,
CID4962148,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.616g/mol |
| Monoisotopic Mass | 222.026g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number