| CAS Number | 163339-67-1 |
| Catalog Number | AG01A3NV(AGN-PC-0Q8EYZ) |
| Chemical Name | Methyl 2-bromo-2-(3-bromophenyl)acetate |
| IUPAC Name | methyl 2-bromo-2-(3-bromophenyl)acetate |
| InChI | InChI=1S/C9H8Br2O2/c1-13-9(12)8(11)6-3-2-4-7(10)5-6/h2-5,8H,1H3 |
| InChI Key | HYTMFNLQELTQHW-UHFFFAOYSA-N |
| MDL Number | MFCD23144034 |
| Molecular Formula | C9H8Br2O2 |
| Molecular Weight | 307.9666 |
| SMILES | COC(C(C1=CC(Br)=CC=C1)Br)=O |
| Synonyms | Methyl 2-bromo-2-(3-bromophenyl)acetate,
163339-67-1,
SCHEMBL2855015,
HYTMFNLQELTQHW-UHFFFAOYSA-N,
NE24794,
DA-09580,
FT-0723708,
Benzeneacetic acid, alpha,3-dibromo-, methyl ester,
CID10686210,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.887g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.969g/mol |
| Monoisotopic Mass | 305.889g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number