2-(4-Amino-2-fluorophenyl)acetonitrile
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Basic information
- CAS
180146-78-5- Standard SMILES
N#CCc1ccc(N)cc1F- InChIKey
IEYUJEAFUVGEOV-UHFFFAOYSA-N- Molecular formula
- C8H7FN2
- Average molar mass
- 150.15 g/mol
- Monoisotopic mass
- 150.05932639
Names & identifiers
- Preferred name
- 2-(4-Amino-2-fluorophenyl)acetonitrile
- IUPAC
- 2-(4-amino-2-fluorophenyl)acetonitrile
- English name
- Benzeneacetonitrile, 4-amino-2-fluoro- (9CI)
- Molecular formula
- C8H7FN2
- Molecular weight
- 150.1529832
Names & synonyms
2-(4-amino-2-fluorophenyl)acetonitrile180146-78-5Benzeneacetonitrile, 4-amino-2-fluoro- (9CI)MFCD20696905(4-Amino-2-fluorophenyl)acetonitrileBenzeneacetonitrile, 4-amino-2-fluoro-4-cyanomethyl-3-fluoroanilineSCHEMBL4714190SCHEMBL30327377DTXSID90595213IEYUJEAFUVGEOV-UHFFFAOYSA-N(4-Amino-2-fluoro-phenyl)-acetonitrile
Show more names
2-(4-amino-2-fluoro-phenyl)acetonitrileDB-340225CS-0370593F758877
Database identifiers
- CAS
180146-78-5- PubChem CID
- 18621981
- DTXSID
DTXSID90595213
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2926907090
Related reactions
4 records
Compound notes
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