| CAS Number | 749928-77-6 |
| Catalog Number | AG00ICL8(AGN-PC-0U6KE0) |
| Chemical Name | 2-(4-Bromo-2-fluorophenyl)-2-methylpropanenitrile |
| IUPAC Name | 2-(4-bromo-2-fluorophenyl)-2-methylpropanenitrile |
| InChI | InChI=1S/C10H9BrFN/c1-10(2,6-13)8-4-3-7(11)5-9(8)12/h3-5H,1-2H3 |
| InChI Key | WPCTXASXKDFYBT-UHFFFAOYSA-N |
| MDL Number | MFCD11846958 |
| Molecular Formula | C10H9BrFN |
| Molecular Weight | 242.0876 |
| SMILES | CC(C1=C(F)C=C(Br)C=C1)(C#N)C |
| Synonyms | 2-(4-BROMO-2-FLUOROPHENYL)-2-METHYLPROPANENITRILE,
749928-77-6,
SCHEMBL308902,
WPCTXASXKDFYBT-UHFFFAOYSA-N,
KM1663,
MFCD11846958,
ZINC75934352,
SC-32327,
Benzeneacetonitrile, 4-bromo-2-fluoro-a,a-dimethyl-,
2-(4-Bromo-2-fluoro-phenyl)-2-methyl-propionitrile,
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| 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
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Certificate of Analysis
Lot Number