| CAS Number | 1516081-14-3 |
| Catalog Number | AG01B89X |
| Chemical Name | 2-(3-Bromo-2,6-difluorophenyl)acetonitrile |
| IUPAC Name | 2-(3-bromo-2,6-difluorophenyl)acetonitrile |
| InChI | InChI=1S/C8H4BrF2N/c9-6-1-2-7(10)5(3-4-12)8(6)11/h1-2H,3H2 |
| InChI Key | IWAMIZNQNATIKJ-UHFFFAOYSA-N |
| MDL Number | MFCD28383744 |
| Molecular Formula | C8H4BrF2N |
| Molecular Weight | 232.0249 |
| SMILES | BrC=1C(=C(C(=CC1)F)CC#N)F |
| Synonyms | 2-(3-bromo-2,6-difluorophenyl)acetonitrile,
1516081-14-3,
SCHEMBL19995552,
ZINC83593254,
AKOS023061077,
FCH5644372,
BBV-57798947,
EN300-200175,
Z2037273422,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.028g/mol |
| Monoisotopic Mass | 230.95g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number