| CAS Number | 1781676-21-8 |
| Catalog Number | AG01BYUT(AGN-PC-0WOZMZ) |
| Chemical Name | 1-bromo-2-ethyl-4-fluorobenzene |
| IUPAC Name | 1-bromo-2-ethyl-4-fluorobenzene |
| InChI | InChI=1S/C8H8BrF/c1-2-6-5-7(10)3-4-8(6)9/h3-5H,2H2,1H3 |
| InChI Key | CJFDAIJZICZYEB-UHFFFAOYSA-N |
| MDL Number | MFCD22490648 |
| Molecular Formula | C8H8BrF |
| Molecular Weight | 203.0515 |
| SMILES | CCC1=C(Br)C=CC(F)=C1 |
| Synonyms | 1-bromo-2-ethyl-4-fluorobenzene,
1781676-21-8,
1-Bromo-5-fluoroethylbenzene,
SCHEMBL322033,
ZINC113567679,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.054g/mol |
| Monoisotopic Mass | 201.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number