| CAS Number | 124573-93-9 |
| Catalog Number | AG01AIF6(AGN-PC-0WOQBF) |
| Chemical Name | methyl 2-(4-bromophenyl)-2-chloroacetate |
| IUPAC Name | methyl 2-(4-bromophenyl)-2-chloroacetate |
| InChI | InChI=1S/C9H8BrClO2/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8H,1H3 |
| InChI Key | NSGPRRIZASKEEN-UHFFFAOYSA-N |
| MDL Number | MFCD16694232 |
| Molecular Formula | C9H8BrClO2 |
| Molecular Weight | 263.5156 |
| SMILES | COC(C(C1=CC=C(Br)C=C1)Cl)=O |
| Synonyms | methyl 2-(4-bromophenyl)-2-chloroacetate,
124573-93-9,
methyl (4-bromophenyl)(chloro)acetate,
MFCD16694232,
AKOS011508095,
NE54747,
BS-12267,
EN300-77651,
2-Chloro-4-bromophenyl-acetic acid methyl ester,
J-508726,
|
| Complexity | 179 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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