| CAS Number | 51081-72-2 |
| Catalog Number | AG019MBE |
| Chemical Name | 5-(3-Chlorophenyl)thiophene-2-carbaldehyde |
| IUPAC Name | 5-(3-chlorophenyl)thiophene-2-carbaldehyde |
| InChI | InChI=1S/C11H7ClOS/c12-9-3-1-2-8(6-9)11-5-4-10(7-13)14-11/h1-7H |
| InChI Key | DNIBJTALGPZHEB-UHFFFAOYSA-N |
| MDL Number | MFCD06410184 |
| Molecular Formula | C11H7ClOS |
| Molecular Weight | 222.6907 |
| SMILES | ClC1=CC(C2SC(C=O)=CC=2)=CC=C1 |
| Synonyms | 5-(3-chlorophenyl)thiophene-2-carbaldehyde,
51081-72-2,
5-(3-Chloro-phenyl)-thiophene-2-carbaldehyde,
AC1MS3FF,
AC1Q3I0S,
SCHEMBL2019002,
CTK7H9772,
ZINC4313157,
AKOS004113905,
AB24061,
MCULE-7737065809,
NE17951,
5-(3-chlorophenyl)-2-thiophenecarbaldehyde,
BB 0222848,
EN300-35666,
ZINC04313157,
CID3578054,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.686g/mol |
| Monoisotopic Mass | 221.991g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number