| CAS Number | 886502-33-6 |
| Catalog Number | AG00GY6V(AGN-PC-0WANPZ) |
| Chemical Name | 4-METHOXY-2-(TRIFLUOROMETHOXY)BENZONITRILE |
| IUPAC Name | 4-methoxy-2-(trifluoromethoxy)benzonitrile |
| InChI | InChI=1S/C9H6F3NO2/c1-14-7-3-2-6(5-13)8(4-7)15-9(10,11)12/h2-4H,1H3 |
| InChI Key | KCDAVWNDFNGBFU-UHFFFAOYSA-N |
| MDL Number | MFCD06660284 |
| Molecular Formula | C9H6F3NO2 |
| Molecular Weight | 217.1446 |
| SMILES | N#CC1=CC=C(OC)C=C1OC(F)(F)F |
| Synonyms | 4-Methoxy-2-(trifluoromethoxy)benzonitrile,
886502-33-6,
SCHEMBL1980445,
CTK7A1205,
JRD-1898,
MFCD06660284,
SBB095368,
ZINC12359303,
AKOS015956703,
AS-42578,
PC302598,
4-methoxy-2-(trifluoromethoxy)benzenecarbonitrile,
1-(bromomethyl)-3-fluoro-2-methylbenzene,
500912-14-1,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.147g/mol |
| Monoisotopic Mass | 217.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number