| CAS Number | 121459-86-7 |
| Catalog Number | AG01A68Q(AGN-PC-0A00BS) |
| Chemical Name | 3-(3-Bromopropyl)thiophene |
| IUPAC Name | 3-(3-bromopropyl)thiophene |
| InChI | InChI=1S/C7H9BrS/c8-4-1-2-7-3-5-9-6-7/h3,5-6H,1-2,4H2 |
| InChI Key | HJQLPZIKXZBQCK-UHFFFAOYSA-N |
| MDL Number | MFCD16824798 |
| Molecular Formula | C7H9BrS |
| Molecular Weight | 205.1154 |
| SMILES | BrCCCC1=CSC=C1 |
| Synonyms | 3-(3-bromopropyl)thiophene,
121459-86-7,
SCHEMBL12484215,
Thiophene, 3-(3-bromopropyl)-,
ZINC60712619,
AKOS011897150,
NE46037,
|
| Complexity | 75.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.113g/mol |
| Monoisotopic Mass | 203.961g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number