| CAS Number | 76471-94-8 |
| Catalog Number | AG005BP0(AGN-PC-0KNXIX) |
| Chemical Name | ((4-Fluorophenyl)amino)acetonitrile |
| EC Number | 278-475-0 |
| IUPAC Name | 2-(4-fluoroanilino)acetonitrile |
| InChI | InChI=1S/C8H7FN2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,11H,6H2 |
| InChI Key | UAYKXKKZGRYBAQ-UHFFFAOYSA-N |
| MDL Number | MFCD08694642 |
| Molecular Formula | C8H7FN2 |
| Molecular Weight | 150.1530 |
| SMILES | FC1=CC=C(NCC#N)C=C1 |
| Synonyms | 76471-94-8,
((4-Fluorophenyl)amino)acetonitrile,
2-((4-fluorophenyl)amino)acetonitrile,
[(4-FLUOROPHENYL)AMINO]ACETONITRILE,
(4-fluorophenylamino)acetonitrile,
2-[(4-fluorophenyl)amino]acetonitrile,
EINECS 278-475-0,
AC1MI6YM,
AC1Q4MOF,
SCHEMBL196987,
2-(4-fluoroanilino)acetonitrile,
CTK2I0312,
UAYKXKKZGRYBAQ-UHFFFAOYSA-N,
(4-fluoro-phenylamino)-acetonitrile,
ZINC20051929,
AKOS000253907,
C8H7FN2,
C8-H7-F-N2,
CID3018660,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.156g/mol |
| Monoisotopic Mass | 150.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number