| CAS Number | 1515051-28-1 |
| Catalog Number | AG01AV4L(AGN-PC-0WOCSW) |
| Chemical Name | 2-(3-Bromo-5-fluorophenoxymethyl)oxirane |
| IUPAC Name | 2-[(3-bromo-5-fluorophenoxy)methyl]oxirane |
| InChI | InChI=1S/C9H8BrFO2/c10-6-1-7(11)3-8(2-6)12-4-9-5-13-9/h1-3,9H,4-5H2 |
| InChI Key | IAYLDVSLWMFGMD-UHFFFAOYSA-N |
| MDL Number | MFCD24083478 |
| Molecular Formula | C9H8BrFO2 |
| Molecular Weight | 247.0610 |
| SMILES | FC1=CC(OCC2OC2)=CC(Br)=C1 |
| Synonyms | 2-(3-bromo-5-fluorophenoxymethyl)oxirane,
1515051-28-1,
AKOS019904431,
NE40572,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.063g/mol |
| Monoisotopic Mass | 245.969g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number