| CAS Number | 1171401-51-6 |
| Catalog Number | AG019L85(AGN-PC-0WOTB2) |
| Chemical Name | 8-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-amine hydrochloride |
| IUPAC Name | 7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-amine;hydrochloride |
| InChI | InChI=1S/C9H10ClNO2.ClH/c10-6-4-8-9(5-7(6)11)13-3-1-2-12-8;/h4-5H,1-3,11H2;1H |
| InChI Key | DLRLKUOINAWJKO-UHFFFAOYSA-N |
| MDL Number | MFCD09971354 |
| Molecular Formula | C9H11Cl2NO2 |
| Molecular Weight | 236.0951 |
| SMILES | Cl.NC1=C(Cl)C=C2C(OCCCO2)=C1 |
| Synonyms | 8-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-amine hydrochloride,
1171401-51-6,
AC1Q3CWP,
CTK7D6064,
AKOS026743030,
MCULE-5929900782,
NE14704,
EN300-30410,
Z235353075,
8-Chloro-3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-amine hydrochloride,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.092g/mol |
| Monoisotopic Mass | 235.017g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number