2,3-dinitrobenzene-1,4-dicarbonyl chloride

C8H2Cl2N2O6 — CID 71323152

IUPAC2,3-dinitrobenzene-1,4-dicarbonyl chloride
SMILESO=C(Cl)c1ccc(C(=O)Cl)c([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C8H2Cl2N2O6/c9-7(13)3-1-2-4(8(10)14)6(12(17)18)5(3)11(15)16/h1-2H
InChIKeyFXJCZDRWXDMMMB-UHFFFAOYSA-N
MW293.02 g/mol
LogP2.26
Rot. Bonds4

About 2,3-dinitrobenzene-1,4-dicarbonyl chloride

2,3-dinitrobenzene-1,4-dicarbonyl chloride (PubChem CID 71323152) has the molecular formula C8H2Cl2N2O6 and a molecular weight of 293.02 g/mol. Its IUPAC name is 2,3-dinitrobenzene-1,4-dicarbonyl chloride.

Molecular Properties

Compound Name2,3-dinitrobenzene-1,4-dicarbonyl chloride
PubChem CID71323152
Molecular FormulaC8H2Cl2N2O6
Molecular Weight293.02 g/mol
Exact Mass291.93
IUPAC Name2,3-dinitrobenzene-1,4-dicarbonyl chloride
SMILESO=C(Cl)c1ccc(C(=O)Cl)c([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C8H2Cl2N2O6/c9-7(13)3-1-2-4(8(10)14)6(12(17)18)5(3)11(15)16/h1-2H
InChIKeyFXJCZDRWXDMMMB-UHFFFAOYSA-N
XLogP2.26
TPSA120.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.02
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,3-dinitrobenzene-1,4-dicarbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-3-methoxy-2-nitrobenzoyl chloride
CID 171027100
4-cyano-2-nitro-3-(trifluoromethyl)benzoyl chloride
CID 170996249
4-fluoro-3-formyl-2-nitrobenzoyl chloride
CID 171014741
2-nitro-3-sulfanylbenzoyl chloride;zinc
CID 174848151
4-fluoro-2-methyl-3-nitrobenzoyl chloride
CID 131056028
3-cyano-4-iodo-2-nitrobenzoyl chloride
CID 171025843
2-fluoro-4-iodo-3-nitrobenzoyl chloride
CID 171013171
3-ethyl-2-nitrobenzoyl chloride
CID 139644229
2-nitro-3-(trifluoromethyl)benzoyl chloride
CID 131870239
4-nitro-5,6,7,8-tetrahydronaphthalene-1-carbonyl chloride
CID 22452665
3-ethoxy-2-nitrobenzoyl chloride
CID 139644234
2-fluoro-4-nitrobenzoyl chloride
CID 10420435

Frequently Asked Questions

What is the IUPAC name of 2,3-dinitrobenzene-1,4-dicarbonyl chloride?
The IUPAC name of 2,3-dinitrobenzene-1,4-dicarbonyl chloride (CID 71323152) is 2,3-dinitrobenzene-1,4-dicarbonyl chloride.
What is the SMILES notation for 2,3-dinitrobenzene-1,4-dicarbonyl chloride?
The canonical SMILES for 2,3-dinitrobenzene-1,4-dicarbonyl chloride is O=C(Cl)c1ccc(C(=O)Cl)c([N+](=O)[O-])c1[N+](=O)[O-].
What is the InChIKey of 2,3-dinitrobenzene-1,4-dicarbonyl chloride?
The InChIKey is FXJCZDRWXDMMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl2N2O6/c9-7(13)3-1-2-4(8(10)14)6(12(17)18)5(3)11(15)16/h1-2H.
What are the key properties of 2,3-dinitrobenzene-1,4-dicarbonyl chloride?
2,3-dinitrobenzene-1,4-dicarbonyl chloride has a molecular weight of 293.02 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dinitrobenzene-1,4-dicarbonyl chloride is sourced from PubChem (CID 71323152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).