| CAS Number | 390360-90-4 |
| Catalog Number | AG01B1P7(AGN-PC-03EBN5) |
| Chemical Name | 4-Bromo-5-chlorothiophene-2-carbaldehyde |
| IUPAC Name | 4-bromo-5-chlorothiophene-2-carbaldehyde |
| InChI | InChI=1S/C5H2BrClOS/c6-4-1-3(2-8)9-5(4)7/h1-2H |
| InChI Key | PTGYPJXVQUVREU-UHFFFAOYSA-N |
| MDL Number | MFCD28012256 |
| Molecular Formula | C5H2BrClOS |
| Molecular Weight | 225.4908 |
| SMILES | ClC1=C(Br)C=C(C=O)S1 |
| Synonyms | 4-bromo-5-chlorothiophene-2-carbaldehyde,
390360-90-4,
4-Bromo-5-chloro-thiophene-2-carbaldehyde,
SCHEMBL950696,
PTGYPJXVQUVREU-UHFFFAOYSA-N,
ZINC96300511,
AKOS026745209,
NE17282,
4-Bromo-5-chloro-2-thiophenecarbaldehyde,
4-bromo-5-chloro-2-thiophene-carbaldehyde,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.87g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.484g/mol |
| Monoisotopic Mass | 223.87g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number