| CAS Number | 920759-94-0 |
| Catalog Number | AG01AN64(AGN-PC-0WONAS) |
| Chemical Name | METHYL 3-(BROMOMETHYL)-2-CHLOROBENZOATE |
| IUPAC Name | methyl 3-(bromomethyl)-2-chlorobenzoate |
| InChI | InChI=1S/C9H8BrClO2/c1-13-9(12)7-4-2-3-6(5-10)8(7)11/h2-4H,5H2,1H3 |
| InChI Key | FMIQVNNVKYWPIH-UHFFFAOYSA-N |
| MDL Number | MFCD26863458 |
| Molecular Formula | C9H8BrClO2 |
| Molecular Weight | 263.5156 |
| SMILES | O=C(OC)C1=CC=CC(CBr)=C1Cl |
| Synonyms | methyl 3-(bromomethyl)-2-chlorobenzoate,
920759-94-0,
SCHEMBL1963803,
Benzoic acid, 3-(bromomethyl)-2-chloro-, methyl ester,
FMIQVNNVKYWPIH-UHFFFAOYSA-N,
Methyl 3-bromomethyl-2-chlorobenzoate,
ZINC117652887,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number