| CAS Number | 945541-97-9 |
| Catalog Number | AG00IIBZ(AGN-PC-0WAOEQ) |
| Chemical Name | 2-Fluoro-5-methylphenylacetonitrile |
| IUPAC Name | 2-(2-fluoro-5-methylphenyl)acetonitrile |
| InChI | InChI=1S/C9H8FN/c1-7-2-3-9(10)8(6-7)4-5-11/h2-3,6H,4H2,1H3 |
| InChI Key | OYOGNBWWSNXFQI-UHFFFAOYSA-N |
| MDL Number | MFCD07772783 |
| Molecular Formula | C9H8FN |
| Molecular Weight | 149.1649 |
| SMILES | FC1=C(C=C(C=C1)C)CC#N |
| Synonyms | 2-Fluoro-5-methylphenylacetonitrile,
945541-97-9,
2-(2-fluoro-5-methylphenyl)acetonitrile,
SCHEMBL952178,
CTK6B5132,
OYOGNBWWSNXFQI-UHFFFAOYSA-N,
JRD-1813,
MFCD07772783,
SBB086630,
ZINC39712931,
AKOS006286351,
JS-4434,
(2-Fluoro-5-methyl-phenyl)-acetonitrile,
Benzeneacetonitrile, 2-fluoro-5-methyl-,
2-(2-fluoro-5-methylphenyl)ethanenitrile,
SC-52031,
Z1198173739,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.168g/mol |
| Monoisotopic Mass | 149.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number