| CAS Number | 13771-97-6 |
| Catalog Number | AG00IS9M(AGN-PC-0WAZCS) |
| Chemical Name | 5-Chloro-1-benzothiophene-2-carbonyl chloride |
| IUPAC Name | 5-chloro-1-benzothiophene-2-carbonyl chloride |
| InChI | InChI=1S/C9H4Cl2OS/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H |
| InChI Key | VWTWOPUSFDZHLV-UHFFFAOYSA-N |
| MDL Number | MFCD16622799 |
| Molecular Formula | C9H4Cl2OS |
| Molecular Weight | 231.0985 |
| SMILES | ClC2(=CC1(=C(SC(=C1)C(Cl)=O)C=C2)) |
| Synonyms | 5-chloro-1-benzothiophene-2-carbonyl chloride,
13771-97-6,
Benzo[b]thiophene-2-carbonyl chloride, 5-chloro-,
SCHEMBL17267445,
CTK6H1990,
chlorobenzothiophenecarbonylchloride,
KS-000024UT,
MFCD16622799,
SBB097711,
ZINC52507785,
AKOS015850496,
EE-0723,
RP13290,
TR-071213,
5-chlorobenzo[b]thiophene-2-carbonyl chloride,
5-chloro-1-benzo[b]thiophene-2-carbonyl chloride,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.09g/mol |
| Monoisotopic Mass | 229.936g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number