| CAS Number | 1269151-62-3 |
| Catalog Number | AG019VQB(AGN-PC-0WO41I) |
| Chemical Name | N-[(4-Bromothiophen-2-yl)methyl]-2-chloroacetamide |
| IUPAC Name | N-[(4-bromothiophen-2-yl)methyl]-2-chloroacetamide |
| InChI | InChI=1S/C7H7BrClNOS/c8-5-1-6(12-4-5)3-10-7(11)2-9/h1,4H,2-3H2,(H,10,11) |
| InChI Key | XPFDDGKYJPRDAF-UHFFFAOYSA-N |
| MDL Number | MFCD18380588 |
| Molecular Formula | C7H7BrClNOS |
| Molecular Weight | 268.5586 |
| SMILES | ClCC(NCC1SC=C(Br)C=1)=O |
| Synonyms | N-[(4-bromothiophen-2-yl)methyl]-2-chloroacetamide,
1269151-62-3,
AC1Q3TNF,
ZINC60273327,
AKOS010026524,
NE49916,
EN300-48190,
Z1562126674,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.912g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.553g/mol |
| Monoisotopic Mass | 266.912g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number