| CAS Number | 190011-81-5 |
| Catalog Number | AG00AMNT(AGN-PC-07AEIN) |
| Chemical Name | Benzonitrile, 2-amino-3,6-difluoro- (9CI) |
| IUPAC Name | 2-amino-3,6-difluorobenzonitrile |
| InChI | InChI=1S/C7H4F2N2/c8-5-1-2-6(9)7(11)4(5)3-10/h1-2H,11H2 |
| InChI Key | ZPQFHGOBMGGBEP-UHFFFAOYSA-N |
| MDL Number | MFCD13178244 |
| Molecular Formula | C7H4F2N2 |
| Molecular Weight | 154.1169 |
| SMILES | N#CC1=C(F)C=CC(F)=C1N |
| Synonyms | 190011-81-5,
2-AMINO-3,6-DIFLUORO-BENZONITRILE,
2-Amino-3,6-difluorobenzonitrile,
2-Cyano-3,6-difluoroaniline,
MFCD13178244,
SCHEMBL1462237,
CTK8H4129,
ZPQFHGOBMGGBEP-UHFFFAOYSA-N,
ZINC39088597,
AKOS017515652,
2-Amino-3,6-difluorobenzonitrile, 97%,
AS-40611,
Benzonitrile, 2-amino-3,6-difluoro- (9CI),
443-89-0,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.12g/mol |
| Monoisotopic Mass | 154.034g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number