| CAS Number | 30095-50-2 |
| Catalog Number | AG01A9R0(AGN-PC-0N7IG2) |
| Chemical Name | 2-Bromo-1-(3-chloro-4-methoxyphenyl)ethan-1-one |
| IUPAC Name | 2-bromo-1-(3-chloro-4-methoxyphenyl)ethanone |
| InChI | InChI=1S/C9H8BrClO2/c1-13-9-3-2-6(4-7(9)11)8(12)5-10/h2-4H,5H2,1H3 |
| InChI Key | OIMMLGVIZOHKSH-UHFFFAOYSA-N |
| MDL Number | MFCD11103556 |
| Molecular Formula | C9H8BrClO2 |
| Molecular Weight | 263.5156 |
| SMILES | COC1=C(Cl)C=C(C(CBr)=O)C=C1 |
| Synonyms | 2-bromo-1-(3-chloro-4-methoxyphenyl)ethan-1-one,
30095-50-2,
2-bromo-1-(3-chloro-4-methoxyphenyl)ethanone,
Bromomethyl 3-chloro-4-methoxyphenyl ketone,
AC1Q45DV,
SCHEMBL2166529,
OIMMLGVIZOHKSH-UHFFFAOYSA-N,
STK872207,
ZINC27745624,
AKOS002325952,
MCULE-8766408028,
NE49806,
ST45228560,
EN300-65879,
CID10611613,
2-bromo-1-(3-chloro-4-methoxy-phenyl)ethanone,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.515g/mol |
| Monoisotopic Mass | 261.94g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number