| CAS Number | 5002-98-2 |
| Catalog Number | AG019JNU(AGN-PC-0WAK3T) |
| Chemical Name | 2-[(3-bromophenoxy)methyl]oxirane |
| IUPAC Name | 2-[(3-bromophenoxy)methyl]oxirane |
| InChI | InChI=1S/C9H9BrO2/c10-7-2-1-3-8(4-7)11-5-9-6-12-9/h1-4,9H,5-6H2 |
| InChI Key | MJDGHPATEBXUTI-UHFFFAOYSA-N |
| MDL Number | MFCD06655041 |
| Molecular Formula | C9H9BrO2 |
| Molecular Weight | 229.0706 |
| SMILES | BrC1=CC(OCC2OC2)=CC=C1 |
| Synonyms | 2-(3-bromophenoxymethyl)oxirane,
5002-98-2,
2-[(3-bromophenoxy)methyl]oxirane,
2-((3-bromophenoxy)methyl)oxirane,
AC1MZ0ZX,
3-Bromophenylglycidyl ether,
AC1Q254Z,
SCHEMBL15819333,
CTK5I8580,
MJDGHPATEBXUTI-UHFFFAOYSA-N,
(+)-3-bromophenyl glycidyl ether,
2-((3-bromophenoxy) methyl)oxirane,
2-((3-bromophenoxy)methyl) oxirane,
AKOS009031276,
NE39406,
EN300-09934,
(+)-3-bromophenylglycidylether,
ZINC04200165,
CID3865342,
(S)-2-((3-BROMOPHENOXY)METHYL)OXIRANE,
1024843-97-7,
|
| Complexity | 152 |
| 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 | 21.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number