| CAS Number | 722491-28-3 |
| Catalog Number | AG019P7Y |
| Chemical Name | 2-Chloro-1-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]ethan-1-one |
| IUPAC Name | 2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanone |
| InChI | InChI=1S/C14H17ClN2O5S/c15-10-14(18)16-3-5-17(6-4-16)23(19,20)11-1-2-12-13(9-11)22-8-7-21-12/h1-2,9H,3-8,10H2 |
| InChI Key | BADSZXHBCSWVAD-UHFFFAOYSA-N |
| MDL Number | MFCD04116857 |
| Molecular Formula | C14H17ClN2O5S |
| Molecular Weight | 360.8132 |
| SMILES | ClCC(N1CCN(S(C2=CC3=C(OCCO3)C=C2)(=O)=O)CC1)=O |
| Synonyms | 2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]ethan-1-one,
722491-28-3,
1-(chloroacetyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine,
AC1Q3TFB,
AC1M0L3X,
CTK6H5140,
ZINC2457774,
AKOS001386860,
MCULE-3661296906,
NE26889,
UPCMLD0ENAT5791199:001,
EN300-22575,
2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanone,
ZINC02457774,
CID2051980,
|
| Complexity | 530 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.809g/mol |
| Monoisotopic Mass | 360.055g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number