| CAS Number | 155820-63-6 |
| Catalog Number | AG01B57P(AGN-PC-0WOMBR) |
| Chemical Name | Benzyl 2-Bromo-2,2-Difluoroacetate |
| IUPAC Name | benzyl 2-bromo-2,2-difluoroacetate |
| InChI | InChI=1S/C9H7BrF2O2/c10-9(11,12)8(13)14-6-7-4-2-1-3-5-7/h1-5H,6H2 |
| InChI Key | ZYBCQKXKMSMAAO-UHFFFAOYSA-N |
| MDL Number | MFCD28544991 |
| Molecular Formula | C9H7BrF2O2 |
| Molecular Weight | 265.0515 |
| SMILES | BrC(C(=O)OCC1=CC=CC=C1)(F)F |
| Synonyms | benzyl 2-bromo-2,2-difluoroacetate,
155820-63-6,
benzyl bromodifluoroacetate,
SCHEMBL543540,
ZYBCQKXKMSMAAO-UHFFFAOYSA-N,
ZINC38679440,
Benzyl 2-bromo-2,2-difluoro-acetate,
CID10378165,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.054g/mol |
| Monoisotopic Mass | 263.96g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number