| CAS Number | 923248-49-1 |
| Catalog Number | AG019P8V |
| Chemical Name | 2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N-ethylacetamide |
| IUPAC Name | 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylacetamide |
| InChI | InChI=1S/C13H16ClNO3/c1-2-15(13(16)7-14)8-10-9-17-11-5-3-4-6-12(11)18-10/h3-6,10H,2,7-9H2,1H3 |
| InChI Key | XQHOHXFWOUPAFN-UHFFFAOYSA-N |
| MDL Number | MFCD08444107 |
| Molecular Formula | C13H16ClNO3 |
| Molecular Weight | 269.724 |
| SMILES | CCN(C(CCl)=O)CC1OC2=C(C=CC=C2)OC1 |
| Synonyms | 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N-ethylacetamide,
923248-49-1,
AC1Q2ZLL,
CTK6E6890,
AKOS001258657,
AKOS016893099,
MCULE-7275876653,
NE31958,
EN300-22714,
2-chloro-N-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-N-ethylacetamide,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.725g/mol |
| Monoisotopic Mass | 269.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number