4,8-dinitronaphthalene-2,6-dicarbonyl chloride

C12H4Cl2N2O6 — CID 10688710

IUPAC4,8-dinitronaphthalene-2,6-dicarbonyl chloride
SMILESO=C(Cl)c1cc([N+](=O)[O-])c2cc(C(=O)Cl)cc([N+](=O)[O-])c2c1
InChIInChI=1S/C12H4Cl2N2O6/c13-11(17)5-1-7-8(10(3-5)16(21)22)2-6(12(14)18)4-9(7)15(19)20/h1-4H
InChIKeyZFMJHTDUNUGMIG-UHFFFAOYSA-N
MW343.08 g/mol
LogP3.41
Rot. Bonds4

About 4,8-dinitronaphthalene-2,6-dicarbonyl chloride

4,8-dinitronaphthalene-2,6-dicarbonyl chloride (PubChem CID 10688710) has the molecular formula C12H4Cl2N2O6 and a molecular weight of 343.08 g/mol. Its IUPAC name is 4,8-dinitronaphthalene-2,6-dicarbonyl chloride.

Molecular Properties

Compound Name4,8-dinitronaphthalene-2,6-dicarbonyl chloride
PubChem CID10688710
Molecular FormulaC12H4Cl2N2O6
Molecular Weight343.08 g/mol
Exact Mass341.94
IUPAC Name4,8-dinitronaphthalene-2,6-dicarbonyl chloride
SMILESO=C(Cl)c1cc([N+](=O)[O-])c2cc(C(=O)Cl)cc([N+](=O)[O-])c2c1
InChIInChI=1S/C12H4Cl2N2O6/c13-11(17)5-1-7-8(10(3-5)16(21)22)2-6(12(14)18)4-9(7)15(19)20/h1-4H
InChIKeyZFMJHTDUNUGMIG-UHFFFAOYSA-N
XLogP3.41
TPSA120.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.08
LogP ≤ 53.41
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'}

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Related Compounds

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CID 23451564
4-(2-methoxyethylamino)-3,5-dinitrobenzoyl chloride
CID 132593762
3-nitro-4-propan-2-yloxybenzoyl chloride
CID 164518818
4-(4-methoxyanilino)-3,5-dinitrobenzoyl chloride
CID 132593901
4-(4-ethylanilino)-3,5-dinitrobenzoyl chloride
CID 132591591
6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134660245
methyl 3-hydroxy-4-methoxy-5-nitrobenzoate
CID 171036678
3-nitro-4-pentylbenzoyl chloride
CID 21484502
2,4-dinitroaniline;4-nitrobenzoyl chloride
CID 161258688
3-nitro-4-propoxybenzoyl chloride
CID 95732806
3-chloro-5-nitro-4-(trifluoromethoxy)benzoic acid
CID 121234311
4-chloro-N-hydroxy-3,5-dinitrobenzamide
CID 71370589

Frequently Asked Questions

What is the IUPAC name of 4,8-dinitronaphthalene-2,6-dicarbonyl chloride?
The IUPAC name of 4,8-dinitronaphthalene-2,6-dicarbonyl chloride (CID 10688710) is 4,8-dinitronaphthalene-2,6-dicarbonyl chloride.
What is the SMILES notation for 4,8-dinitronaphthalene-2,6-dicarbonyl chloride?
The canonical SMILES for 4,8-dinitronaphthalene-2,6-dicarbonyl chloride is O=C(Cl)c1cc([N+](=O)[O-])c2cc(C(=O)Cl)cc([N+](=O)[O-])c2c1.
What is the InChIKey of 4,8-dinitronaphthalene-2,6-dicarbonyl chloride?
The InChIKey is ZFMJHTDUNUGMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl2N2O6/c13-11(17)5-1-7-8(10(3-5)16(21)22)2-6(12(14)18)4-9(7)15(19)20/h1-4H.
What are the key properties of 4,8-dinitronaphthalene-2,6-dicarbonyl chloride?
4,8-dinitronaphthalene-2,6-dicarbonyl chloride has a molecular weight of 343.08 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dinitronaphthalene-2,6-dicarbonyl chloride is sourced from PubChem (CID 10688710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).