| CAS Number | 878218-20-3 |
| Catalog Number | AG00GUFE |
| Chemical Name | 2-Chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide |
| IUPAC Name | 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide |
| InChI | InChI=1S/C13H16ClNO3/c1-2-15(13(16)8-14)9-10-3-4-11-12(7-10)18-6-5-17-11/h3-4,7H,2,5-6,8-9H2,1H3 |
| InChI Key | UQSCBSZZNMLGLP-UHFFFAOYSA-N |
| MDL Number | MFCD08239622 |
| Molecular Formula | C13H16ClNO3 |
| Molecular Weight | 269.7240 |
| SMILES | O=C(N(CC1=CC=C(OCCO2)C2=C1)CC)CCl |
| Synonyms | 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide,
878218-20-3,
AC1PMHKJ,
AC1Q2ZLJ,
CTK6E6884,
ZINC8037221,
AKOS030717646,
MCULE-6475293189,
NE13783,
EN300-22928,
J-509047,
ZINC08037221,
CID9167348,
|
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number