4-(Difluoromethyl)-6-nitroquinolin-2(1h)-one
Basic information
- CAS
934687-47-5- Standard SMILES
O=c1cc(C(F)F)c2cc([N+](=O)[O-])ccc2[nH]1- InChIKey
GJBKWDJAAWMVPR-UHFFFAOYSA-N- Molecular formula
- C10H6F2N2O3
- Average molar mass
- 240.16 g/mol
- Monoisotopic mass
- 240.03464838
Names & identifiers
- Preferred name
- 4-(Difluoromethyl)-6-nitroquinolin-2(1h)-one
- IUPAC
- 4-(difluoromethyl)-6-nitro-1H-quinolin-2-one
Names & synonyms
4-(difluoromethyl)-6-nitroquinolin-2(1h)-oneDTXSID001258280934687-47-54-(Difluoromethyl)-6-nitro-2(1H)-quinolinone
Database identifiers
- CAS
934687-47-5- PubChem CID
- 131887865
- DTXSID
DTXSID001258280
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 378
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Compound notes
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