| CAS Number | 128619-83-0 |
| Catalog Number | AG000Y82(AGN-PC-0042G6) |
| Chemical Name | 2-bromo-5-butylthiophene |
| IUPAC Name | 2-bromo-5-butylthiophene |
| InChI | InChI=1S/C8H11BrS/c1-2-3-4-7-5-6-8(9)10-7/h5-6H,2-4H2,1H3 |
| InChI Key | BQPMOWMCGHVEDO-UHFFFAOYSA-N |
| MDL Number | MFCD20486050 |
| Molecular Formula | C8H11BrS |
| Molecular Weight | 219.1419 |
| SMILES | c1(ccc(s1)CCCC)Br |
| Synonyms | 2-bromo-5-butylThiophene,
128619-83-0,
Thiophene, 2-bromo-5-butyl-,
ACMC-20msx1,
SCHEMBL3870601,
CTK0C1670,
DTXSID40569520,
BQPMOWMCGHVEDO-UHFFFAOYSA-N,
ZINC34492740,
AKOS030528512,
SC-69539,
DB-062649,
FT-0720601,
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| Complexity | 95.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.14g/mol |
| Monoisotopic Mass | 217.976g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number