| CAS Number | 13737-37-6 |
| Catalog Number | AG009D8F(AGN-PC-0041LR) |
| Chemical Name | Methyl 2-(bromomethyl)benzeneacetate |
| IUPAC Name | methyl 2-[2-(bromomethyl)phenyl]acetate |
| InChI | InChI=1S/C10H11BrO2/c1-13-10(12)6-8-4-2-3-5-9(8)7-11/h2-5H,6-7H2,1H3 |
| InChI Key | BRAHRRYCGOLXPW-UHFFFAOYSA-N |
| MDL Number | MFCD14666530 |
| Molecular Formula | C10H11BrO2 |
| Molecular Weight | 243.0971 |
| SMILES | BrCC1=C(C=CC=C1)CC(=O)OC |
| Synonyms | 13737-37-6,
methyl 2-bromomethylphenylacetate,
Benzeneacetic acid, 2-(bromomethyl)-, methyl ester,
Methyl 2-(bromomethyl)benzeneacetate,
methyl 2-[2-(bromomethyl)phenyl]acetate,
SCHEMBL2060361,
methyl o-bromomethylphenylacetate,
BRAHRRYCGOLXPW-UHFFFAOYSA-N,
methyl(2-bromomethylphenyl)acetate,
Methyl 2-Bromomethyl Phenylacetate,
methyl (2-bromomethylphenyl)acetate,
ZINC34492021,
AKOS015912180,
methyl [2-(bromomethyl)phenyl]acetate,
AJ-88893,
FT-0645547,
2-(bromomethyl)-phenylacetic acid methyl ester,
[2-(Bromomethyl)phenyl]acetic acid methyl ester,
I14-36606,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.1g/mol |
| Monoisotopic Mass | 241.994g/mol |
| Rotatable Bond Count | 4 |
| 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
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Certificate of Analysis
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