| CAS Number | 25642-08-4 |
| Catalog Number | AG01BBFL(AGN-PC-0O8BI9) |
| Chemical Name | 2-[(3-chlorophenyl)methyl]oxirane |
| IUPAC Name | 2-[(3-chlorophenyl)methyl]oxirane |
| InChI | InChI=1S/C9H9ClO/c10-8-3-1-2-7(4-8)5-9-6-11-9/h1-4,9H,5-6H2 |
| InChI Key | BGNAIHASVGIGDQ-UHFFFAOYSA-N |
| MDL Number | MFCD22414043 |
| Molecular Formula | C9H9ClO |
| Molecular Weight | 168.6202 |
| SMILES | ClC1=CC(CC2OC2)=CC=C1 |
| Synonyms | 2-[(3-chlorophenyl)methyl]oxirane,
25642-08-4,
SCHEMBL7051578,
AKOS026730888,
2-(3-chlorobenzyl)oxirane,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.62g/mol |
| Monoisotopic Mass | 168.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number