| CAS Number | 1341438-16-1 |
| Catalog Number | AG01B1BH |
| Chemical Name | 2-chloro-6-(propan-2-ylsulfanyl)benzaldehyde |
| IUPAC Name | 2-chloro-6-propan-2-ylsulfanylbenzaldehyde |
| InChI | InChI=1S/C10H11ClOS/c1-7(2)13-10-5-3-4-9(11)8(10)6-12/h3-7H,1-2H3 |
| InChI Key | WTPBDWDYLAVYEB-UHFFFAOYSA-N |
| MDL Number | MFCD18887924 |
| Molecular Formula | C10H11ClOS |
| Molecular Weight | 214.7117 |
| SMILES | CC(SC1=C(C=O)C(Cl)=CC=C1)C |
| Synonyms | 2-chloro-6-(propan-2-ylsulfanyl)benzaldehyde,
1341438-16-1,
ZINC82612766,
AKOS013115411,
NE16402,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.707g/mol |
| Monoisotopic Mass | 214.022g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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