| CAS Number | 178685-13-7 |
| Catalog Number | AG01BE91(AGN-PC-0NEKJD) |
| Chemical Name | 1-Fluoro-2-(2-iodoethyl)benzene |
| IUPAC Name | 1-fluoro-2-(2-iodoethyl)benzene |
| InChI | InChI=1S/C8H8FI/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6H2 |
| InChI Key | DTVSVMHVPOMAQZ-UHFFFAOYSA-N |
| MDL Number | MFCD18207452 |
| Molecular Formula | C8H8FI |
| Molecular Weight | 250.0520 |
| SMILES | C1=CC=C(C(=C1)CCI)F |
| Synonyms | 1-fluoro-2-(2-iodoethyl)benzene,
178685-13-7,
Benzene, 1-fluoro-2-(2-iodoethyl)-,
1-fluoro-(2-iodoethyl)benzene,
SCHEMBL7394350,
DTVSVMHVPOMAQZ-UHFFFAOYSA-N,
3-fluoro-4-(2-iodoethyl)benzene,
ZINC98095597,
NE21458,
CID11021288,
|
| Complexity | 95.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.055g/mol |
| Monoisotopic Mass | 249.965g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number