6-amino-2-(trifluoromethyl)-4H-chromen-4-one
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Basic information
- CAS
383371-02-6- Standard SMILES
Nc1ccc2oc(C(F)(F)F)cc(=O)c2c1- InChIKey
KQYWQJHGWUXEJB-UHFFFAOYSA-N- Molecular formula
- C10H6F3NO2
- Average molar mass
- 229.15 g/mol
- Monoisotopic mass
- 229.03506292
Names & identifiers
- Preferred name
- 6-amino-2-(trifluoromethyl)-4H-chromen-4-one
- IUPAC
- 6-amino-2-(trifluoromethyl)chromen-4-one
- English name
- 6-AMINO-2-TRIFLUOROMETHYL-CHROMEN-4-ONE
- Molecular formula
- C10H6F3NO2
- Molecular weight
- 229.16
Names & synonyms
6-amino-2-(trifluoromethyl)-4H-chromen-4-one383371-02-6DTXSID50354080RefChem:307078DTXCID003051436-amino-2-(trifluoromethyl)chromen-4-oneMFCD026262266-Amino-2-(trifluoromethyl)-4H-1-benzopyran-4-one6-Amino-2-trifluoromethyl-chromen-4-one6-Amino-2-(trifluoromethyl)chromoneSBB013841STK701090
Show more names
OTAVA-BB 1119397TIMTEC-BB SBB013841CHEMBRDG-BB 68945126-amino-2-(trifluoromethyl)-4H-chromen-4-one(SALTDATA: FREE)
AKOS000558175VS-02153DB-029058ST4132518CS-0231026EN300-1066988F3152384H-1-Benzopyran-4-one, 6-amino-2-(trifluoromethyl)-
Database identifiers
- CAS
383371-02-6- PubChem CID
- 762929
- DTXSID
DTXSID50354080- Nikkaji
- J1.888.766E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Boiling point
- 288.6 · 288.6±40.0 °C(Predicted)
- Density
- 1.523 · 1.523±0.06 g/cm3(Predicted)
- pka
- 3.13 · 3.13±0.40(Predicted)
- HS Code
- 2932990090 · 2932990090
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
- 2932990090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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