| CAS Number | 500199-09-7 |
| Catalog Number | AG00IMDS(AGN-PC-0HCW59) |
| Chemical Name | Thiophene, 2-bromo-3-tetradecyl- |
| IUPAC Name | 2-bromo-3-tetradecylthiophene |
| InChI | InChI=1S/C18H31BrS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-20-18(17)19/h15-16H,2-14H2,1H3 |
| InChI Key | GOUPSYVDGUEWMF-UHFFFAOYSA-N |
| MDL Number | MFCD31618101 |
| Molecular Formula | C18H31BrS |
| Molecular Weight | 359.4077 |
| SMILES | CCCCCCCCCCCCCCC1=C(Br)SC=C1 |
| Synonyms | 2-bromo-3-tetradecylthiophene,
500199-09-7,
Thiophene, 2-bromo-3-tetradecyl-,
SCHEMBL2145395,
CTK1G7572,
DTXSID70736788,
GOUPSYVDGUEWMF-UHFFFAOYSA-N,
B5408,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 359.41g/mol |
| Monoisotopic Mass | 358.133g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 9.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number