| CAS Number | 216575-43-8 |
| Catalog Number | AG00ITMD(AGN-PC-0WAXU6) |
| Chemical Name | 4-Chlorobenzo[b]thiophene-2-carbaldehyde |
| IUPAC Name | 4-chloro-1-benzothiophene-2-carbaldehyde |
| InChI | InChI=1S/C9H5ClOS/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-5H |
| InChI Key | NSKSTUZQSQFGOH-UHFFFAOYSA-N |
| MDL Number | MFCD11840956 |
| Molecular Formula | C9H5ClOS |
| Molecular Weight | 196.6534 |
| SMILES | c1ccc2c(c1Cl)cc(s2)C=O |
| Synonyms | 4-chloro-1-benzothiophene-2-carbaldehyde,
216575-43-8,
4-chlorobenzo[b]thiophene-2-carbaldehyde,
SCHEMBL12095282,
CTK7I0658,
KS-000021ZJ,
MFCD11840956,
SBB092071,
ZINC32911315,
AKOS005071498,
AD-0710,
RP11580,
AJ-85508,
TR-064151,
4-chloro-1-benzo[b]thiophene-2-carbaldehyde,
Benzo[b]thiophene-2-carboxaldehyde, 4-chloro-,
4-chloroBenzo[b]thiophene-2-carboxaldehyde,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.648g/mol |
| Monoisotopic Mass | 195.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number