| CAS Number | 189138-13-4 |
| Catalog Number | AG01A8JR(AGN-PC-0QIH6U) |
| Chemical Name | 2-Amino-2-(2,4-difluorophenyl)acetonitrile |
| IUPAC Name | 2-amino-2-(2,4-difluorophenyl)acetonitrile |
| InChI | InChI=1S/C8H6F2N2/c9-5-1-2-6(7(10)3-5)8(12)4-11/h1-3,8H,12H2 |
| InChI Key | FKLPIKQXWNNKSV-UHFFFAOYSA-N |
| MDL Number | MFCD09041124 |
| Molecular Formula | C8H6F2N2 |
| Molecular Weight | 168.1434 |
| SMILES | NC(C1=C(F)C=C(F)C=C1)C#N |
| Synonyms | 2-amino-2-(2,4-difluorophenyl)acetonitrile,
189138-13-4,
SCHEMBL8186328,
CTK7C5160,
FKLPIKQXWNNKSV-UHFFFAOYSA-N,
AC1Q5048,
AKOS000123411,
AKOS016051334,
NE51120,
AMINO(2,4-DIFLUOROPHENYL)ACETONITRILE,
EN300-61779,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.147g/mol |
| Monoisotopic Mass | 168.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number