4-fluoro-3-formyl-2-nitrobenzoyl chloride

C8H3ClFNO4 — CID 171014741

IUPAC4-fluoro-3-formyl-2-nitrobenzoyl chloride
SMILESO=Cc1c(F)ccc(C(=O)Cl)c1[N+](=O)[O-]
InChIInChI=1S/C8H3ClFNO4/c9-8(13)4-1-2-6(10)5(3-12)7(4)11(14)15/h1-3H
InChIKeyFVKAFRGNUJWROZ-UHFFFAOYSA-N
MW231.57 g/mol
LogP1.93
Rot. Bonds3

About 4-fluoro-3-formyl-2-nitrobenzoyl chloride

4-fluoro-3-formyl-2-nitrobenzoyl chloride (PubChem CID 171014741) has the molecular formula C8H3ClFNO4 and a molecular weight of 231.57 g/mol. Its IUPAC name is 4-fluoro-3-formyl-2-nitrobenzoyl chloride.

Molecular Properties

Compound Name4-fluoro-3-formyl-2-nitrobenzoyl chloride
PubChem CID171014741
Molecular FormulaC8H3ClFNO4
Molecular Weight231.57 g/mol
Exact Mass230.97
IUPAC Name4-fluoro-3-formyl-2-nitrobenzoyl chloride
SMILESO=Cc1c(F)ccc(C(=O)Cl)c1[N+](=O)[O-]
InChIInChI=1S/C8H3ClFNO4/c9-8(13)4-1-2-6(10)5(3-12)7(4)11(14)15/h1-3H
InChIKeyFVKAFRGNUJWROZ-UHFFFAOYSA-N
XLogP1.93
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.57
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'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

3-acetyl-6-fluoro-2-nitrobenzaldehyde
CID 171014526
2,3-dinitrobenzene-1,4-dicarbonyl chloride
CID 71323152
6-(2-chloroacetyl)-3-fluoro-2-nitrobenzaldehyde
CID 171015569
4-fluoro-2-methyl-3-nitrobenzoyl chloride
CID 131056028
4-fluoro-3-formyl-2-methoxybenzoyl chloride
CID 171009671
2-fluoro-4-iodo-3-nitrobenzoyl chloride
CID 171013171
2-fluoro-4-nitrobenzoyl chloride
CID 10420435
2,4-difluoro-3-nitrobenzoic acid
CID 69257842
2-nitro-3-(trifluoromethyl)benzoyl chloride
CID 131870239
3-amino-4-fluoro-2-nitrobenzoic acid
CID 122687122
4-fluoro-3-methyl-2-nitrobenzoic acid
CID 53430691
6-fluoro-3-nitro-2-phosphanylbenzaldehyde
CID 164593338

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-formyl-2-nitrobenzoyl chloride?
The IUPAC name of 4-fluoro-3-formyl-2-nitrobenzoyl chloride (CID 171014741) is 4-fluoro-3-formyl-2-nitrobenzoyl chloride.
What is the SMILES notation for 4-fluoro-3-formyl-2-nitrobenzoyl chloride?
The canonical SMILES for 4-fluoro-3-formyl-2-nitrobenzoyl chloride is O=Cc1c(F)ccc(C(=O)Cl)c1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-3-formyl-2-nitrobenzoyl chloride?
The InChIKey is FVKAFRGNUJWROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClFNO4/c9-8(13)4-1-2-6(10)5(3-12)7(4)11(14)15/h1-3H.
What are the key properties of 4-fluoro-3-formyl-2-nitrobenzoyl chloride?
4-fluoro-3-formyl-2-nitrobenzoyl chloride has a molecular weight of 231.57 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-formyl-2-nitrobenzoyl chloride is sourced from PubChem (CID 171014741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).