4,6-Diamino-2,5-Difluoro-1,3-Benzenediol
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Basic information
- CAS
276870-15-6- Standard SMILES
Nc1c(O)c(F)c(O)c(N)c1F- InChIKey
GAEVXOFETVNASA-UHFFFAOYSA-N- Molecular formula
- C6H6F2N2O2
- Average molar mass
- 176.12 g/mol
- Monoisotopic mass
- 176.03973376
Names & identifiers
- Preferred name
- 4,6-Diamino-2,5-Difluoro-1,3-Benzenediol
- IUPAC
- 4,6-diamino-2,5-difluorobenzene-1,3-diol
- English name
- 1,3-Benzenediol, 4,6-diamino-2,5-difluoro-
- Molecular formula
- C6H6F2N2O2
- Molecular weight
- 176.12
Names & synonyms
SCHEMBL7718824276870-15-64,6-Diamino-2,5-Difluoro-1,3-Benzenediol1,3-Benzenediol, 4,6-diamino-2,5-difluoro-
Database identifiers
- CAS
276870-15-6- PubChem CID
- 22613307
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Related reactions
0 records
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Compound notes
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