| CAS Number | 926204-64-0 |
| Catalog Number | AG019MMS |
| Chemical Name | 5-(3,4-Dichlorophenyl)thiophene-2-carbaldehyde |
| IUPAC Name | 5-(3,4-dichlorophenyl)thiophene-2-carbaldehyde |
| InChI | InChI=1S/C11H6Cl2OS/c12-9-3-1-7(5-10(9)13)11-4-2-8(6-14)15-11/h1-6H |
| InChI Key | IZXNRXDSEUCGBS-UHFFFAOYSA-N |
| MDL Number | MFCD09042454 |
| Molecular Formula | C11H6Cl2OS |
| Molecular Weight | 257.1357 |
| SMILES | ClC1=C(Cl)C=C(C2SC(C=O)=CC=2)C=C1 |
| Synonyms | 5-(3,4-dichlorophenyl)thiophene-2-carbaldehyde,
926204-64-0,
AC1Q3HM1,
SCHEMBL1133732,
CTK7H9756,
IZXNRXDSEUCGBS-UHFFFAOYSA-N,
ZINC20283758,
AKOS000125004,
MCULE-8866119296,
NE42326,
EN300-36642,
5-(3,4-dichloro-phenyl)thiophene-2-carbaldehyde,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.952g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.128g/mol |
| Monoisotopic Mass | 255.952g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
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