| CAS Number | 1000548-41-3 |
| Catalog Number | AG009OUT(AGN-PC-0WANLG) |
| Chemical Name | 4-Fluoro-3-methylphenylacetonitrile |
| IUPAC Name | 2-(4-fluoro-3-methylphenyl)acetonitrile |
| InChI | InChI=1S/C9H8FN/c1-7-6-8(4-5-11)2-3-9(7)10/h2-3,6H,4H2,1H3 |
| InChI Key | XAVNYICMRHFCLO-UHFFFAOYSA-N |
| MDL Number | MFCD09832240 |
| Molecular Formula | C9H8FN |
| Molecular Weight | 149.1649 |
| SMILES | CC1=C(F)C=CC(CC#N)=C1 |
| Synonyms | 1000548-41-3,
4-FLUORO-3-METHYLPHENYLACETONITRILE,
4-Fluoro-3-methylbenzyl cyanide,
2-(4-fluoro-3-methylphenyl)acetonitrile,
SCHEMBL909509,
CTK7C9714,
DTXSID40602587,
XAVNYICMRHFCLO-UHFFFAOYSA-N,
FCH873776,
MFCD09832240,
SBB086629,
ZINC38529580,
(4-Fluoro-3-methylphenyl)acetonitrile,
AKOS006328947,
2-(4-fluoro-3-methylphenyl)ethanenitrile,
AS-40436,
PC302996,
SC-60038,
CS-0061265,
FT-0714084,
4-fluoro-3-methylBenzeneacetonitrile,
|
| 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