| CAS Number | 704-65-4 |
| Catalog Number | AG00FCJE(AGN-PC-0OGWGO) |
| Chemical Name | PHENOL, 2-(BROMOMETHYL)-, 1-ACETATE |
| IUPAC Name | [2-(bromomethyl)phenyl] acetate |
| InChI | InChI=1S/C9H9BrO2/c1-7(11)12-9-5-3-2-4-8(9)6-10/h2-5H,6H2,1H3 |
| InChI Key | RHZMCEFGRRLLAP-UHFFFAOYSA-N |
| MDL Number | MFCD20487652 |
| Molecular Formula | C9H9BrO2 |
| Molecular Weight | 229.0706 |
| SMILES | O(C(=O)C)c1c(CBr)cccc1 |
| Synonyms | 2-(Bromomethyl)phenyl acetate,
704-65-4,
AK149576,
2-acetoxy-phenylmethyl bromide,
1-Acetoxy-2-bromomethylbenzene,
SCHEMBL2791448,
[2-(bromomethyl)phenyl] acetate,
KS-00000S6Y,
2-acetoxy-1,4-(bromomethyl)benzene,
MFCD20487652,
ZINC39204480,
AKOS022189204,
DS-9165,
FCH1606212,
AJ-99028,
OR400175,
methyl alpha-bromophenyl acetate,
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| Complexity | 159 |
| 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 | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number