| CAS Number | 853574-37-5 |
| Catalog Number | AG00G3U2(AGN-PC-0WO0Q0) |
| Chemical Name | 5-Chloro-7-(chloromethyl)-2,3-dihydrobenzo[b][1,4]dioxine |
| IUPAC Name | 5-chloro-7-(chloromethyl)-2,3-dihydro-1,4-benzodioxine |
| InChI | InChI=1S/C9H8Cl2O2/c10-5-6-3-7(11)9-8(4-6)12-1-2-13-9/h3-4H,1-2,5H2 |
| InChI Key | NRKPLPNTCNHLKZ-UHFFFAOYSA-N |
| MDL Number | MFCD06655711 |
| Molecular Formula | C9H8Cl2O2 |
| Molecular Weight | 219.0646 |
| SMILES | ClC1=CC(=CC=2OCCOC21)CCl |
| Synonyms | 5-chloro-7-(chloromethyl)-2,3-dihydro-1,4-benzodioxine,
853574-37-5,
5-Chloro-7-(chloromethyl)-2,3-dihydrobenzo[b][1,4]dioxine,
AC1NLQEF,
AC1Q3U27,
CTK6H6540,
ZINC4206282,
MFCD06655711,
AKOS001065140,
MCULE-8463525594,
NE17586,
EN300-13191,
J-517379,
ZINC04206282,
CID4962284,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.061g/mol |
| Monoisotopic Mass | 217.99g/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