| CAS Number | 192811-51-1 |
| Catalog Number | AG00BB8A(AGN-PC-0KFLIQ) |
| Chemical Name | 3-((2-Fluorophenyl)amino)propanenitrile |
| IUPAC Name | 3-(2-fluoroanilino)propanenitrile |
| InChI | InChI=1S/C9H9FN2/c10-8-4-1-2-5-9(8)12-7-3-6-11/h1-2,4-5,12H,3,7H2 |
| InChI Key | VENLUHCIJJCGSR-UHFFFAOYSA-N |
| MDL Number | MFCD02720738 |
| Molecular Formula | C9H9FN2 |
| Molecular Weight | 164.1796 |
| SMILES | FC1=C(NCCC#N)C=CC=C1 |
| Synonyms | 192811-51-1,
3-(2-Fluoro-phenylamino)-propionitrile,
3-[(2-fluorophenyl)amino]propanenitrile,
3-((2-Fluorophenyl)amino)propanenitrile,
3-(2-fluoroanilino)propanenitrile,
AC1M5KZK,
AC1Q4LH9,
Propanenitrile, 3-[(2-fluorophenyl)amino]- (9CI),
SCHEMBL6968841,
CTK7D0316,
VENLUHCIJJCGSR-UHFFFAOYSA-N,
ZINC3263977,
3-(2-fluoro-phenylamino)propionitrile,
AKOS000115540,
MCULE-5900853928,
NE12263,
EN300-02353,
Z56813548,
ZINC03263977,
CID2380515,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.183g/mol |
| Monoisotopic Mass | 164.075g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number