| CAS Number | 847783-39-5 |
| Catalog Number | AG019OEC |
| Chemical Name | N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-chloroacetamide |
| IUPAC Name | N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-chloroacetamide |
| InChI | InChI=1S/C11H11ClN2OS/c12-7-10(15)13-6-5-11-14-8-3-1-2-4-9(8)16-11/h1-4H,5-7H2,(H,13,15) |
| InChI Key | HALDVULRGHGXNJ-UHFFFAOYSA-N |
| MDL Number | MFCD07312877 |
| Molecular Formula | C11H11ClN2OS |
| Molecular Weight | 254.7358 |
| SMILES | ClCC(NCCC1SC2=C(C=CC=C2)N=1)=O |
| Synonyms | N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-chloroacetamide,
847783-39-5,
AC1NLQVB,
AC1Q3TOG,
CTK6H5920,
ZINC4206920,
NE28257,
EN300-13719,
ZINC04206920,
CID4962602,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.732g/mol |
| Monoisotopic Mass | 254.028g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number