| CAS Number | 651034-29-6 |
| Catalog Number | AG01C5CG(AGN-PC-0I9BCE) |
| Chemical Name | 3-Bromo-5-methylthiophene-2-carbonitrile |
| IUPAC Name | 3-bromo-5-methylthiophene-2-carbonitrile |
| InChI | InChI=1S/C6H4BrNS/c1-4-2-5(7)6(3-8)9-4/h2H,1H3 |
| InChI Key | WONRKQFJBPVWRL-UHFFFAOYSA-N |
| MDL Number | MFCD22058398 |
| Molecular Formula | C6H4BrNS |
| Molecular Weight | 202.0717 |
| SMILES | CC1SC(C#N)=C(Br)C=1 |
| Synonyms | 3-Bromo-5-methylthiophene-2-carbonitrile,
651034-29-6,
3-Bromo-5-methyl-2-thiophenecarbonitrile,
SCHEMBL4595703,
CTK1J9933,
DTXSID60739804,
WONRKQFJBPVWRL-UHFFFAOYSA-N,
ZINC82381903,
FCH1584842,
BBV-43541116,
2-Thiophenecarbonitrile, 3-bromo-5-methyl-,
EN300-263187,
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| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.069g/mol |
| Monoisotopic Mass | 200.925g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number