| CAS Number | 1023795-47-2 |
| Catalog Number | AG01A9KS |
| Chemical Name | 4-Hydrazinyl-2-(trifluoromethyl)benzonitrile |
| IUPAC Name | 4-hydrazinyl-2-(trifluoromethyl)benzonitrile |
| InChI | InChI=1S/C8H6F3N3/c9-8(10,11)7-3-6(14-13)2-1-5(7)4-12/h1-3,14H,13H2 |
| InChI Key | MGXSNCGDHCMSJM-UHFFFAOYSA-N |
| MDL Number | MFCD12805506 |
| Molecular Formula | C8H6F3N3 |
| Molecular Weight | 201.1486 |
| SMILES | N(N)C1=CC(=C(C#N)C=C1)C(F)(F)F |
| Synonyms | 4-hydrazinyl-2-(trifluoromethyl)benzonitrile,
1023795-47-2,
EN300-65355,
SCHEMBL8210097,
AC1Q5522,
ZINC37737516,
AKOS010144430,
FCH4963425,
MCULE-9935619369,
NE37316,
BBV-32110460,
Z1742194537,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.152g/mol |
| Monoisotopic Mass | 201.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number