Basic information
- CAS
84186-24-3- Standard SMILES
N#CC1=C(N)Oc2ccc3ccccc3c2C1c1ccccc1F- InChIKey
RUATVEOWTATRNS-UHFFFAOYSA-N- Molecular formula
- C20H13FN2O
- Average molar mass
- 316.3 g/mol
- Monoisotopic mass
- 316.1011912
Names & identifiers
- Preferred name
- 3-Amino-1-(2-fluorophenyl)-1H-naphtho(2,1-b)pyran-2-carbonitrile
- IUPAC
- 3-amino-1-(2-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile
- English name
- 1H-Naphtho[1,2-b]pyran-2-carbonitrile, 3-amino-1-(2-fluorophenyl)-
- Molecular formula
- C20H13FN2O
- Molecular weight
- 316.33
Names & synonyms
84186-24-33-Amino-1-(2-fluorophenyl)-1H-naphtho[2,1-b]pyran-2-carbonitrile3-Amino-1-(2-fluorophenyl)-1H-naphtho(2,1-b)pyran-2-carbonitrileRefChem:2762863-Amino-1-(2-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrileRUATVEOWTATRNS-UHFFFAOYSA-NDTXSID901170524STK711797AKOS001738257AKOS016348695ST098170SR-01000521607
Show more names
2-amino-4-(2-fluorophenyl)-3-cyano-4H-naphthopyran1H-Naphtho[2,1-b]pyran-2-carbonitrile, 3-amino-1-(2-fluorophenyl)-
SR-01000521607-13-Amino-1-(2-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile #1H-Naphtho[1,2-b]pyran-2-carbonitrile, 3-amino-1-(2-fluorophenyl)-
Database identifiers
- CAS
84186-24-3- PubChem CID
- 613562
- DTXSID
DTXSID901170524
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 565
Physicochemical properties
- Melting point
- 294 · 294-295 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 516.1 · 516.1±50.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 2.81 · 2.81±0.40(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
Interbioscreen Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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