| CAS Number | 886502-09-6 |
| Catalog Number | AG00VROQ(AGN-PC-0WAOD4) |
| Chemical Name | 2,6-difluoro-3-methylbenzonitrile |
| IUPAC Name | 2,6-difluoro-3-methylbenzonitrile |
| InChI | InChI=1S/C8H5F2N/c1-5-2-3-7(9)6(4-11)8(5)10/h2-3H,1H3 |
| InChI Key | OXAYAJBYFPLWFX-UHFFFAOYSA-N |
| MDL Number | MFCD06660181 |
| Molecular Formula | C8H5F2N |
| Molecular Weight | 153.1288 |
| SMILES | C1(=C(F)C=CC(C)=C1F)C#N |
| Synonyms | 2,6-Difluoro-3-methylbenzonitrile,
886502-09-6,
SCHEMBL16136624,
CTK7C6529,
JRD-1609,
MFCD06660181,
SBB086888,
ZINC39712896,
AKOS006294859,
JS-4367,
2,6-difluoro-3-methylbenzenecarbonitrile,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.132g/mol |
| Monoisotopic Mass | 153.039g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number