| CAS Number | 96110-56-4 |
| Catalog Number | AG019RF4(AGN-PC-00PK95) |
| Chemical Name | 1-(Trifluoromethyl)cyclopropane-1-carbonitrile |
| IUPAC Name | 1-(trifluoromethyl)cyclopropane-1-carbonitrile |
| InChI | InChI=1S/C5H4F3N/c6-5(7,8)4(3-9)1-2-4/h1-2H2 |
| InChI Key | VZQMRRQNVCBXHM-UHFFFAOYSA-N |
| MDL Number | MFCD16990764 |
| Molecular Formula | C5H4F3N |
| Molecular Weight | 135.0872 |
| SMILES | N#CC1(CC1)C(F)(F)F |
| Synonyms | 1-(trifluoromethyl)cyclopropane-1-carbonitrile,
96110-56-4,
1-(Trifluoromethyl)cyclopropanecarbonitrile,
EN300-89615,
AC1Q4IKC,
SCHEMBL8273972,
DTXSID70573695,
MFCD16990764,
ZINC57218876,
AKOS026727571,
FCH1121188,
NE61701,
AS-43592,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.089g/mol |
| Monoisotopic Mass | 135.03g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number