1-chloro-5-nitroanthracene-9,10-dione

C14H6ClNO4 — CID 8510

IUPAC1-chloro-5-nitroanthracene-9,10-dione
SMILESO=C1c2cccc([N+](=O)[O-])c2C(=O)c2cccc(Cl)c21
InChIInChI=1S/C14H6ClNO4/c15-9-5-1-3-7-11(9)13(17)8-4-2-6-10(16(19)20)12(8)14(7)18/h1-6H
InChIKeyVOZLLWQPJJSWPR-UHFFFAOYSA-N
MW287.66 g/mol
LogP3.02
Rot. Bonds1

About 1-chloro-5-nitroanthracene-9,10-dione

1-chloro-5-nitroanthracene-9,10-dione (PubChem CID 8510) has the molecular formula C14H6ClNO4 and a molecular weight of 287.66 g/mol. Its IUPAC name is 1-chloro-5-nitroanthracene-9,10-dione.

Molecular Properties

Compound Name1-chloro-5-nitroanthracene-9,10-dione
PubChem CID8510
Molecular FormulaC14H6ClNO4
Molecular Weight287.66 g/mol
Exact Mass287.00
IUPAC Name1-chloro-5-nitroanthracene-9,10-dione
SMILESO=C1c2cccc([N+](=O)[O-])c2C(=O)c2cccc(Cl)c21
InChIInChI=1S/C14H6ClNO4/c15-9-5-1-3-7-11(9)13(17)8-4-2-6-10(16(19)20)12(8)14(7)18/h1-6H
InChIKeyVOZLLWQPJJSWPR-UHFFFAOYSA-N
XLogP3.02
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.66
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-nitroanthracene-9,10-dione?
The IUPAC name of 1-chloro-5-nitroanthracene-9,10-dione (CID 8510) is 1-chloro-5-nitroanthracene-9,10-dione.
What is the SMILES notation for 1-chloro-5-nitroanthracene-9,10-dione?
The canonical SMILES for 1-chloro-5-nitroanthracene-9,10-dione is O=C1c2cccc([N+](=O)[O-])c2C(=O)c2cccc(Cl)c21.
What is the InChIKey of 1-chloro-5-nitroanthracene-9,10-dione?
The InChIKey is VOZLLWQPJJSWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClNO4/c15-9-5-1-3-7-11(9)13(17)8-4-2-6-10(16(19)20)12(8)14(7)18/h1-6H.
What are the key properties of 1-chloro-5-nitroanthracene-9,10-dione?
1-chloro-5-nitroanthracene-9,10-dione has a molecular weight of 287.66 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-nitroanthracene-9,10-dione is sourced from PubChem (CID 8510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).