| CAS Number | 878125-78-1 |
| Catalog Number | AG00GUFM(AGN-PC-0WBPX3) |
| Chemical Name | 2-chloro-N-(thien-2-ylmethyl)propanamide |
| IUPAC Name | 2-chloro-N-(thiophen-2-ylmethyl)propanamide |
| InChI | InChI=1S/C8H10ClNOS/c1-6(9)8(11)10-5-7-3-2-4-12-7/h2-4,6H,5H2,1H3,(H,10,11) |
| InChI Key | FTWRCCDSFPYNQB-UHFFFAOYSA-N |
| MDL Number | MFCD08256162 |
| Molecular Formula | C8H10ClNOS |
| Molecular Weight | 203.6891 |
| SMILES | ClC(C(=O)NCC=1SC=CC1)C |
| Synonyms | 2-Chloro-N-(thiophen-2-ylmethyl)propanamide,
2-chloro-N-(thien-2-ylmethyl)propanamide,
878125-78-1,
AC1Q2AYP,
CTK7F4378,
AKOS009075681,
MCULE-8531175791,
NE13790,
UPCMLD0ENAT5532905:001,
EN300-23380,
J-509096,
F8881-0520,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.684g/mol |
| Monoisotopic Mass | 203.017g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number