1-fluoro-3-nitrobenzene;formic acid

C7H6FNO4 — CID 162160799

IUPAC1-fluoro-3-nitrobenzene;formic acid
SMILESO=CO.O=[N+]([O-])c1cccc(F)c1
InChIInChI=1S/C6H4FNO2.CH2O2/c7-5-2-1-3-6(4-5)8(9)10;2-1-3/h1-4H;1H,(H,2,3)
InChIKeyZMLJRRFMKQLWSK-UHFFFAOYSA-N
MW187.13 g/mol
LogP1.43
Rot. Bonds1

About 1-fluoro-3-nitrobenzene;formic acid

1-fluoro-3-nitrobenzene;formic acid (PubChem CID 162160799) has the molecular formula C7H6FNO4 and a molecular weight of 187.13 g/mol. Its IUPAC name is 1-fluoro-3-nitrobenzene;formic acid.

Molecular Properties

Compound Name1-fluoro-3-nitrobenzene;formic acid
PubChem CID162160799
Molecular FormulaC7H6FNO4
Molecular Weight187.13 g/mol
Exact Mass187.03
IUPAC Name1-fluoro-3-nitrobenzene;formic acid
SMILESO=CO.O=[N+]([O-])c1cccc(F)c1
InChIInChI=1S/C6H4FNO2.CH2O2/c7-5-2-1-3-6(4-5)8(9)10;2-1-3/h1-4H;1H,(H,2,3)
InChIKeyZMLJRRFMKQLWSK-UHFFFAOYSA-N
XLogP1.43
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.13
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-3-nitrobenzene;sulfur trioxide
CID 167661335
CID 70927123
CID 70927123
formic acid;1-nitro-3-phenylbenzene
CID 158057338
1,3-difluorobenzene;formic acid
CID 158586074
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
CID 108513374
benzene;1,2-difluorobenzene;1,3-difluorobenzene;fluorobenzene;nitrobenzene
CID 158057071
(3-fluorophenyl) 3-nitrobenzoate
CID 4812693
2,2,3,3,3-pentafluoro-1-(3-fluorophenyl)-1-(3-nitrophenyl)propan-1-ol
CID 162511579
S-(3-nitrophenyl) methanethioate
CID 91545239
2,6-bis(3-fluorophenyl)-4-nitropyridine
CID 46313659
CID 175409039
CID 175409039
(3-fluorophenyl)-(4-nitrophenyl)methanone
CID 24722816

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-nitrobenzene;formic acid?
The IUPAC name of 1-fluoro-3-nitrobenzene;formic acid (CID 162160799) is 1-fluoro-3-nitrobenzene;formic acid.
What is the SMILES notation for 1-fluoro-3-nitrobenzene;formic acid?
The canonical SMILES for 1-fluoro-3-nitrobenzene;formic acid is O=CO.O=[N+]([O-])c1cccc(F)c1.
What is the InChIKey of 1-fluoro-3-nitrobenzene;formic acid?
The InChIKey is ZMLJRRFMKQLWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO2.CH2O2/c7-5-2-1-3-6(4-5)8(9)10;2-1-3/h1-4H;1H,(H,2,3).
What are the key properties of 1-fluoro-3-nitrobenzene;formic acid?
1-fluoro-3-nitrobenzene;formic acid has a molecular weight of 187.13 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-nitrobenzene;formic acid is sourced from PubChem (CID 162160799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).