| CAS Number | 1017450-89-3 |
| Catalog Number | AG019MG8 |
| Chemical Name | 2-(Dimethylamino)-2-(2-fluorophenyl)acetonitrile |
| IUPAC Name | 2-(dimethylamino)-2-(2-fluorophenyl)acetonitrile |
| InChI | InChI=1S/C10H11FN2/c1-13(2)10(7-12)8-5-3-4-6-9(8)11/h3-6,10H,1-2H3 |
| InChI Key | YZUVBCSIKWSYBZ-UHFFFAOYSA-N |
| MDL Number | MFCD10005115 |
| Molecular Formula | C10H11FN2 |
| Molecular Weight | 178.2061 |
| SMILES | CN(C(C1=C(F)C=CC=C1)C#N)C |
| Synonyms | 2-(dimethylamino)-2-(2-fluorophenyl)acetonitrile,
1017450-89-3,
(dimethylamino)(2-fluorophenyl)acetonitrile,
AC1Q3W2Q,
CTK7C5310,
AKOS009258927,
MCULE-8191837860,
NE19728,
EN300-36095,
Z1235963348,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.21g/mol |
| Monoisotopic Mass | 178.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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