| CAS Number | 852956-43-5 |
| Catalog Number | AG00IDMK(AGN-PC-0WO3GV) |
| Chemical Name | (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol |
| IUPAC Name | (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol |
| InChI | InChI=1S/C10H11ClO3/c11-8-4-7(6-12)5-9-10(8)14-3-1-2-13-9/h4-5,12H,1-3,6H2 |
| InChI Key | LMOWJYPRQLIBBN-UHFFFAOYSA-N |
| MDL Number | MFCD06655730 |
| Molecular Formula | C10H11ClO3 |
| Molecular Weight | 214.6455 |
| SMILES | OCC1=CC2=C(OCCCO2)C(Cl)=C1 |
| Synonyms | (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol,
852956-43-5,
AC1NLQFL,
AC1Q7C2T,
CTK8A2755,
ZINC4206315,
MFCD06655730,
AKOS008999138,
MCULE-4843272616,
NE60009,
EN300-13222,
SR-01000069223,
SR-01000069223-1,
Z89283375,
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol,
ZINC04206315,
CID4962305,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.645g/mol |
| Monoisotopic Mass | 214.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number