| CAS Number | 887575-78-2 |
| Catalog Number | AG01BNPN(AGN-PC-0JWIVU) |
| Chemical Name | 4-Bromo-2,5-dimethylthiophene-3-carbaldehyde |
| IUPAC Name | 4-bromo-2,5-dimethylthiophene-3-carbaldehyde |
| InChI | InChI=1S/C7H7BrOS/c1-4-6(3-9)7(8)5(2)10-4/h3H,1-2H3 |
| InChI Key | NPQKHLRFRRMFMK-UHFFFAOYSA-N |
| MDL Number | MFCD01859952 |
| Molecular Formula | C7H7BrOS |
| Molecular Weight | 219.0989 |
| SMILES | CC1=C(Br)C(C=O)=C(C)S1 |
| Synonyms | 4-bromo-2,5-dimethylthiophene-3-carbaldehyde,
887575-78-2,
AC1LGCC4,
ZINC334198,
FCH3044482,
AJ-19644,
AX8288555,
CID818930,
ZINC00334198,
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| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.096g/mol |
| Monoisotopic Mass | 217.94g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number