| CAS Number | 354814-19-0 |
| Catalog Number | AG00I71K(AGN-PC-0NHSSX) |
| Chemical Name | Benzonitrile, 5-amino-2-(trifluoromethyl)- |
| IUPAC Name | 5-amino-2-(trifluoromethyl)benzonitrile |
| InChI | InChI=1S/C8H5F3N2/c9-8(10,11)7-2-1-6(13)3-5(7)4-12/h1-3H,13H2 |
| InChI Key | OAIXMLOQLVHQER-UHFFFAOYSA-N |
| MDL Number | MFCD20694851 |
| Molecular Formula | C8H5F3N2 |
| Molecular Weight | 186.1339 |
| SMILES | NC=1C=CC(=C(C#N)C1)C(F)(F)F |
| Synonyms | 5-Amino-2-(trifluoromethyl)benzonitrile,
354814-19-0,
Benzonitrile, 5-amino-2-(trifluoromethyl)-,
SCHEMBL324114,
CTK1B6910,
DTXSID90477666,
OAIXMLOQLVHQER-UHFFFAOYSA-N,
MFCD20694851,
ZINC38856995,
AKOS017529650,
NE47372,
AS-46419,
Z1881598191,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.137g/mol |
| Monoisotopic Mass | 186.04g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number