| CAS Number | 730992-77-5 |
| Catalog Number | AG00ICCU |
| Chemical Name | 8-(chloromethyl)-6-fluoro-2-phenyl-2,4-dihydro-1,3-benzodioxine |
| IUPAC Name | 8-(chloromethyl)-6-fluoro-2-phenyl-4H-1,3-benzodioxine |
| InChI | InChI=1S/C15H12ClFO2/c16-8-11-6-13(17)7-12-9-18-15(19-14(11)12)10-4-2-1-3-5-10/h1-7,15H,8-9H2 |
| InChI Key | BBKOMRVUJRZUOI-UHFFFAOYSA-N |
| MDL Number | MFCD04624266 |
| Molecular Formula | C15H12ClFO2 |
| Molecular Weight | 278.7060 |
| SMILES | FC1=CC2=C(OC(C3=CC=CC=C3)OC2)C(CCl)=C1 |
| Synonyms | 8-(chloromethyl)-6-fluoro-2-phenyl-2,4-dihydro-1,3-benzodioxine,
730992-77-5,
8-(chloromethyl)-6-fluoro-2-phenyl-4H-1,3-benzodioxine,
AC1MXSMY,
AC1Q4LN7,
CTK6H6501,
MFCD04624266,
AKOS008967012,
MCULE-8134502649,
NE50683,
EN300-06806,
ZINC03284960,
CID3795473,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.707g/mol |
| Monoisotopic Mass | 278.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number