| CAS Number | 67382-14-3 |
| Catalog Number | AG00FFM5(AGN-PC-0L0XKK) |
| Chemical Name | 2-BROMO-1-(3-METHYL-1-BENZOFURAN-2-YL)ETHANONE |
| IUPAC Name | 2-bromo-1-(3-methyl-1-benzofuran-2-yl)ethanone |
| InChI | InChI=1S/C11H9BrO2/c1-7-8-4-2-3-5-10(8)14-11(7)9(13)6-12/h2-5H,6H2,1H3 |
| InChI Key | JXQIYMVMYGFMFK-UHFFFAOYSA-N |
| MDL Number | MFCD06357443 |
| Molecular Formula | C11H9BrO2 |
| Molecular Weight | 253.0920 |
| SMILES | CC1C2=C(C=CC=C2)OC=1C(CBr)=O |
| Synonyms | 67382-14-3,
2-bromo-1-(3-methyl-1-benzofuran-2-yl)ethanone,
2-bromo-1-(3-methyl-1-benzofuran-2-yl)ethan-1-one,
2-bromo-1-(3-methylbenzofuran-2-yl)ethanone,
AC1MZHOP,
AC1Q2GAF,
SCHEMBL719538,
CTK2F7908,
DTXSID10397271,
JXQIYMVMYGFMFK-UHFFFAOYSA-N,
ZINC3888014,
AKOS000117472,
MCULE-4509535446,
NE35805,
SC-32378,
EN300-10066,
F2124-0739,
2-BROMO-1- ETHANONE,
ZINC03888014,
CID3848213,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.095g/mol |
| Monoisotopic Mass | 251.979g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number