| CAS Number | 878741-82-3 |
| Catalog Number | AG01BS24(AGN-PC-0KL254) |
| Chemical Name | 2-(2-Fluoro-3-methylphenyl)acetonitrile |
| IUPAC Name | 2-(2-fluoro-3-methylphenyl)acetonitrile |
| InChI | InChI=1S/C9H8FN/c1-7-3-2-4-8(5-6-11)9(7)10/h2-4H,5H2,1H3 |
| InChI Key | MYUFXNJTDAJZHR-UHFFFAOYSA-N |
| MDL Number | MFCD07368781 |
| Molecular Formula | C9H8FN |
| Molecular Weight | 149.1649 |
| SMILES | CC1=C(F)C(CC#N)=CC=C1 |
| Synonyms | 2-(2-fluoro-3-methylphenyl)acetonitrile,
878741-82-3,
2-Fluoro-3-methylphenylacetonitrile,
AC1MD3UZ,
SCHEMBL3942869,
CTK6C1608,
MFCD07368781,
SBB086639,
ZINC16159780,
AKOS023061083,
Benzeneacetonitrile, 2-fluoro-3-methyl-,
2-(2-fluoro-3-methylphenyl)ethanenitrile,
2-FLUORO-3-METHYLPHENYL ACETONITRILE,
J-509377,
Z2740003307,
2-Fluoro-3-methylbenzeneacetonitrile,
CID2783144,
2-(2-fluoro-3-methyl-phenyl)acetonitrile,
|
| 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