4-fluoro-2-formyl-6-nitrobenzoyl chloride

C8H3ClFNO4 — CID 171014702

IUPAC4-fluoro-2-formyl-6-nitrobenzoyl chloride
SMILESO=Cc1cc(F)cc([N+](=O)[O-])c1C(=O)Cl
InChIInChI=1S/C8H3ClFNO4/c9-8(13)7-4(3-12)1-5(10)2-6(7)11(14)15/h1-3H
InChIKeyBSQPTSGHDFZSBQ-UHFFFAOYSA-N
MW231.57 g/mol
LogP1.93
Rot. Bonds3

About 4-fluoro-2-formyl-6-nitrobenzoyl chloride

4-fluoro-2-formyl-6-nitrobenzoyl chloride (PubChem CID 171014702) has the molecular formula C8H3ClFNO4 and a molecular weight of 231.57 g/mol. Its IUPAC name is 4-fluoro-2-formyl-6-nitrobenzoyl chloride.

Molecular Properties

Compound Name4-fluoro-2-formyl-6-nitrobenzoyl chloride
PubChem CID171014702
Molecular FormulaC8H3ClFNO4
Molecular Weight231.57 g/mol
Exact Mass230.97
IUPAC Name4-fluoro-2-formyl-6-nitrobenzoyl chloride
SMILESO=Cc1cc(F)cc([N+](=O)[O-])c1C(=O)Cl
InChIInChI=1S/C8H3ClFNO4/c9-8(13)7-4(3-12)1-5(10)2-6(7)11(14)15/h1-3H
InChIKeyBSQPTSGHDFZSBQ-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

2-(4-fluoro-2-formyl-6-nitrophenyl)acetic acid
CID 171015626
2-acetyl-5-chloro-3-nitrobenzaldehyde
CID 171004621
5-fluoro-3-nitro-2-prop-2-enoxybenzaldehyde
CID 100581230
2-formyl-4-methyl-5-nitrobenzoyl chloride
CID 171013344
2-formyl-6-nitro-4-sulfobenzoic acid
CID 56633697
5-(4-fluorobenzoyl)-2-nitrobenzaldehyde
CID 22405661
4-hydroxy-2,5-dinitrobenzaldehyde
CID 118176049
ethyl 4-chloro-2-formyl-6-nitrobenzoate
CID 171006114
4-(2-chloroacetyl)-3-fluoro-5-nitrobenzaldehyde
CID 171015734
2-formyl-5-methoxy-4-nitrobenzoyl chloride
CID 171023304
methyl 4-fluoro-2-methyl-6-nitrobenzoate
CID 134647711
2-(4-chlorobut-1-enyl)-4-fluoro-6-nitrophenol
CID 170499805

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-formyl-6-nitrobenzoyl chloride?
The IUPAC name of 4-fluoro-2-formyl-6-nitrobenzoyl chloride (CID 171014702) is 4-fluoro-2-formyl-6-nitrobenzoyl chloride.
What is the SMILES notation for 4-fluoro-2-formyl-6-nitrobenzoyl chloride?
The canonical SMILES for 4-fluoro-2-formyl-6-nitrobenzoyl chloride is O=Cc1cc(F)cc([N+](=O)[O-])c1C(=O)Cl.
What is the InChIKey of 4-fluoro-2-formyl-6-nitrobenzoyl chloride?
The InChIKey is BSQPTSGHDFZSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClFNO4/c9-8(13)7-4(3-12)1-5(10)2-6(7)11(14)15/h1-3H.
What are the key properties of 4-fluoro-2-formyl-6-nitrobenzoyl chloride?
4-fluoro-2-formyl-6-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-2-formyl-6-nitrobenzoyl chloride is sourced from PubChem (CID 171014702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).