| CAS Number | 1039329-39-9 |
| Catalog Number | AG01A7QK |
| Chemical Name | 4-Bromo-2-(chloromethyl)-1-(difluoromethoxy)benzene |
| IUPAC Name | 4-bromo-2-(chloromethyl)-1-(difluoromethoxy)benzene |
| InChI | InChI=1S/C8H6BrClF2O/c9-6-1-2-7(13-8(11)12)5(3-6)4-10/h1-3,8H,4H2 |
| InChI Key | SMQWZKACAVYQMA-UHFFFAOYSA-N |
| MDL Number | MFCD11194997 |
| Molecular Formula | C8H6BrClF2O |
| Molecular Weight | 271.4864 |
| SMILES | FC(OC1=C(CCl)C=C(Br)C=C1)F |
| Synonyms | 4-bromo-2-(chloromethyl)-1-(difluoromethoxy)benzene,
1039329-39-9,
AC1Q4KOJ,
CTK6H6478,
ZINC20483171,
NE15102,
EN300-59546,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.486g/mol |
| Monoisotopic Mass | 269.926g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number