| CAS Number | 52727-92-1 |
| Catalog Number | AG01AF8S(AGN-PC-0OBR7J) |
| Chemical Name | 4-Bromo-2-methylphenyl acetate |
| IUPAC Name | (4-bromo-2-methylphenyl) acetate |
| InChI | InChI=1S/C9H9BrO2/c1-6-5-8(10)3-4-9(6)12-7(2)11/h3-5H,1-2H3 |
| InChI Key | JWQZSPJVILXASP-UHFFFAOYSA-N |
| MDL Number | MFCD27500762 |
| Molecular Formula | C9H9BrO2 |
| Molecular Weight | 229.0706 |
| SMILES | CC(OC1=C(C)C=C(Br)C=C1)=O |
| Synonyms | 4-bromo-2-methylphenyl acetate,
52727-92-1,
methyl-4-bromophenyl acetate,
SCHEMBL1737797,
JWQZSPJVILXASP-UHFFFAOYSA-N,
ZINC95883779,
Phenol, 4-bromo-2-methyl-, acetate,
AKOS033389772,
MCULE-9673678416,
Z1516170019,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.073g/mol |
| Monoisotopic Mass | 227.979g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number