| CAS Number | 639826-18-9 |
| Catalog Number | AG019GWS(AGN-PC-0KTUO4) |
| Chemical Name | 2-(bromomethyl)-4-chloro-1-(difluoromethoxy)benzene |
| IUPAC Name | 2-(bromomethyl)-4-chloro-1-(difluoromethoxy)benzene |
| InChI | InChI=1S/C8H6BrClF2O/c9-4-5-3-6(10)1-2-7(5)13-8(11)12/h1-3,8H,4H2 |
| InChI Key | LCYMNTIAZDUPTP-UHFFFAOYSA-N |
| MDL Number | MFCD06654898 |
| Molecular Formula | C8H6BrClF2O |
| Molecular Weight | 271.4864 |
| SMILES | FC(OC1=C(CBr)C=C(Cl)C=C1)F |
| Synonyms | 2-(bromomethyl)-4-chloro-1-(difluoromethoxy)benzene,
639826-18-9,
2-Bromomethyl-4-chloro-1-difluoromethoxy-benzene,
AC1MP64W,
AC1Q4KQ2,
SCHEMBL1097224,
CTK5I9758,
ZINC3885224,
MFCD06654898,
AKOS000115100,
EN300-01571,
ZINC03885224,
CID3406151,
|
| 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 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number