| CAS Number | 301199-32-6 |
| Catalog Number | AG00BND4(AGN-PC-006J2G) |
| Chemical Name | 2-Bromo-5-pentylthiophene |
| IUPAC Name | 2-bromo-5-pentylthiophene |
| InChI | InChI=1S/C9H13BrS/c1-2-3-4-5-8-6-7-9(10)11-8/h6-7H,2-5H2,1H3 |
| InChI Key | SOZIBLSTUIVYKC-UHFFFAOYSA-N |
| MDL Number | MFCD20486049 |
| Molecular Formula | C9H13BrS |
| Molecular Weight | 233.1685 |
| SMILES | CCCCCc1ccc(Br)s1 |
| Synonyms | 2-bromo-5-pentylThiophene,
301199-32-6,
5-bromo-2-n-pentylthiophene,
SCHEMBL3357183,
SOZIBLSTUIVYKC-UHFFFAOYSA-N,
AKOS030528486,
ZINC137088309,
FCH1605926,
ACM301199326,
DB-068223,
FT-0711003,
2-bromo-5-pentyl-thiophene,
CID11310825,
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| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.167g/mol |
| Monoisotopic Mass | 231.992g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
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Certificate of Analysis
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