| CAS Number | 7141-89-1 |
| Catalog Number | AG01ABLS(AGN-PC-0TYWTW) |
| Chemical Name | methyl 2-bromo-3-(4-chlorophenyl)propanoate |
| IUPAC Name | methyl 2-bromo-3-(4-chlorophenyl)propanoate |
| InChI | InChI=1S/C10H10BrClO2/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9H,6H2,1H3 |
| InChI Key | ASEUZAXHZDPWMY-UHFFFAOYSA-N |
| MDL Number | MFCD11559352 |
| Molecular Formula | C10H10BrClO2 |
| Molecular Weight | 277.5422 |
| SMILES | COC(C(CC1=CC=C(Cl)C=C1)Br)=O |
| Synonyms | Methyl 2-bromo-3-(4-chlorophenyl)propanoate,
7141-89-1,
3-(4-Chlor-phenyl)-2-brom-propionsaeure-methylester,
SCHEMBL15451590,
AKOS002680307,
AKOS016048410,
NE18889,
CID10778926,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.542g/mol |
| Monoisotopic Mass | 275.955g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number