| CAS Number | 792954-07-5 |
| Catalog Number | AG019NMJ(AGN-PC-0WO9C4) |
| Chemical Name | 6-bromo-7-(chloromethyl)-2,3-dihydro-1,4-benzodioxine |
| IUPAC Name | 6-bromo-7-(chloromethyl)-2,3-dihydro-1,4-benzodioxine |
| InChI | InChI=1S/C9H8BrClO2/c10-7-4-9-8(3-6(7)5-11)12-1-2-13-9/h3-4H,1-2,5H2 |
| InChI Key | MPYUWWANTIKFKC-UHFFFAOYSA-N |
| MDL Number | MFCD06362468 |
| Molecular Formula | C9H8BrClO2 |
| Molecular Weight | 263.5156 |
| SMILES | ClCC1=C(Br)C=C2C(OCCO2)=C1 |
| Synonyms | 6-bromo-7-(chloromethyl)-2,3-dihydro-1,4-benzodioxine,
792954-07-5,
AC1NJ8QJ,
AC1Q3U29,
SCHEMBL2111736,
CTK6H6541,
ZINC4204496,
AKOS000118611,
MCULE-7496914876,
NE20267,
EN300-11221,
ZINC04204496,
CID4868404,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.515g/mol |
| Monoisotopic Mass | 261.94g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number