| CAS Number | 1017778-62-9 |
| Catalog Number | AG00VROZ(AGN-PC-0WAOKD) |
| Chemical Name | 2-Methoxy-3-(trifluoromethyl)benzonitrile |
| IUPAC Name | 2-methoxy-3-(trifluoromethyl)benzonitrile |
| InChI | InChI=1S/C9H6F3NO/c1-14-8-6(5-13)3-2-4-7(8)9(10,11)12/h2-4H,1H3 |
| InChI Key | QXMXXEWVOOQVAI-UHFFFAOYSA-N |
| MDL Number | MFCD09832310 |
| Molecular Formula | C9H6F3NO |
| Molecular Weight | 201.1452 |
| SMILES | COC1=C(C=CC=C1C(F)(F)F)C#N |
| Synonyms | 2-METHOXY-3-(TRIFLUOROMETHYL)BENZONITRILE,
1017778-62-9,
CTK7C8642,
ZX-AP002447,
MFCD09832310,
SBB092718,
ZINC38529838,
AKOS015956937,
FCH1325562,
PC48356,
2-Methoxy-3-(trifluoromethyl)benzonitril,
PS-11354,
FT-0715123,
2-Methoxy-3-(trifluoromethyl)benzonitrile, JRD,
2-methoxy-3-(trifluoromethyl)benzenecarbonitrile,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.148g/mol |
| Monoisotopic Mass | 201.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number