fluorobenzene;bis(nitric acid)

C6H7FN2O6 — CID 88837609

IUPACfluorobenzene;bis(nitric acid)
SMILESFc1ccccc1.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C6H5F.2HNO3/c7-6-4-2-1-3-5-6;2*2-1(3)4/h1-5H;2*(H,2,3,4)
InChIKeyQYBXPGREYOAAMB-UHFFFAOYSA-N
MW222.13 g/mol
LogP1.13
Rot. Bonds

About fluorobenzene;bis(nitric acid)

fluorobenzene;bis(nitric acid) (PubChem CID 88837609) has the molecular formula C6H7FN2O6 and a molecular weight of 222.13 g/mol. Its IUPAC name is fluorobenzene;bis(nitric acid).

Molecular Properties

Compound Namefluorobenzene;bis(nitric acid)
PubChem CID88837609
Molecular FormulaC6H7FN2O6
Molecular Weight222.13 g/mol
Exact Mass222.03
IUPAC Namefluorobenzene;bis(nitric acid)
SMILESFc1ccccc1.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C6H5F.2HNO3/c7-6-4-2-1-3-5-6;2*2-1(3)4/h1-5H;2*(H,2,3,4)
InChIKeyQYBXPGREYOAAMB-UHFFFAOYSA-N
XLogP1.13
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

fluoro(1,2,3,4,5,6-13C6)cyclohexatriene
CID 76973692
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CID 6330575
CID 6330575
nitric acid;tetraphenylstibanium
CID 54606514
fluorobenzene fluoride
CID 139243602
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CID 139244086
fluorobenzene;nickel
CID 175250202
copper;nitric acid;bis(triphenylphosphanium)
CID 87857572
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CID 174887362
1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene
CID 134890505
benzene;1,2-difluorobenzene;1,3-difluorobenzene;fluorobenzene;nitrobenzene
CID 158057071
hydrogen peroxide;nitric acid
CID 22590704

Frequently Asked Questions

What is the IUPAC name of fluorobenzene;bis(nitric acid)?
The IUPAC name of fluorobenzene;bis(nitric acid) (CID 88837609) is fluorobenzene;bis(nitric acid).
What is the SMILES notation for fluorobenzene;bis(nitric acid)?
The canonical SMILES for fluorobenzene;bis(nitric acid) is Fc1ccccc1.O=[N+]([O-])O.O=[N+]([O-])O.
What is the InChIKey of fluorobenzene;bis(nitric acid)?
The InChIKey is QYBXPGREYOAAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F.2HNO3/c7-6-4-2-1-3-5-6;2*2-1(3)4/h1-5H;2*(H,2,3,4).
What are the key properties of fluorobenzene;bis(nitric acid)?
fluorobenzene;bis(nitric acid) has a molecular weight of 222.13 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;bis(nitric acid) is sourced from PubChem (CID 88837609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).