| CAS Number | 362640-56-0 |
| Catalog Number | AG00I76P(AGN-PC-03MTJ4) |
| Chemical Name | 2-Methyl-4-(trifluoromethyl)benzonitrile |
| IUPAC Name | 2-methyl-4-(trifluoromethyl)benzonitrile |
| InChI | InChI=1S/C9H6F3N/c1-6-4-8(9(10,11)12)3-2-7(6)5-13/h2-4H,1H3 |
| InChI Key | RGABUAQUWGBFSG-UHFFFAOYSA-N |
| MDL Number | MFCD13185724 |
| Molecular Formula | C9H6F3N |
| Molecular Weight | 185.1458 |
| SMILES | N#CC1=CC=C(C(F)(F)F)C=C1C |
| Synonyms | 2-methyl-4-(trifluoromethyl)benzonitrile,
362640-56-0,
SCHEMBL964361,
RGABUAQUWGBFSG-UHFFFAOYSA-N,
MFCD13185724,
2-methyl-4(trifluoromethyl)benzonitrile,
FT-0751568,
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| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.149g/mol |
| Monoisotopic Mass | 185.045g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number