| CAS Number | 913719-91-2 |
| Catalog Number | AG01A3LQ |
| Chemical Name | 2-(5-Bromo-2-fluorophenyl)-2-methylpropanenitrile |
| IUPAC Name | 2-(5-bromo-2-fluorophenyl)-2-methylpropanenitrile |
| InChI | InChI=1S/C10H9BrFN/c1-10(2,6-13)8-5-7(11)3-4-9(8)12/h3-5H,1-2H3 |
| InChI Key | BIPHQLOGJYEAJK-UHFFFAOYSA-N |
| MDL Number | MFCD19694641 |
| Molecular Formula | C10H9BrFN |
| Molecular Weight | 242.0876 |
| SMILES | CC(C1=C(F)C=CC(Br)=C1)(C#N)C |
| Synonyms | 2-(5-bromo-2-fluorophenyl)-2-methylpropanenitrile,
913719-91-2,
SCHEMBL3860257,
Benzeneacetonitrile, 5-bromo-2-fluoro-alpha,alpha-dimethyl-,
MFCD19694641,
ZINC75934350,
AKOS023129126,
FCH1360893,
MCULE-9668736998,
NE44832,
AS-43822,
EN300-122685,
Z1696822402,
CID11976438,
2-(5-bromo-2-fluoro-phenyl)-2-methyl-propanenitrile,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.091g/mol |
| Monoisotopic Mass | 240.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number