anthracene-9,10-dione;carbonochloridic acid

C15H9ClO4 — CID 88712965

IUPACanthracene-9,10-dione;carbonochloridic acid
SMILESO=C(O)Cl.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.CHClO2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;2-1(3)4/h1-8H;(H,3,4)
InChIKeyOAOKOTRKVNKBPE-UHFFFAOYSA-N
MW288.69 g/mol
LogP3.37
Rot. Bonds

About anthracene-9,10-dione;carbonochloridic acid

anthracene-9,10-dione;carbonochloridic acid (PubChem CID 88712965) has the molecular formula C15H9ClO4 and a molecular weight of 288.69 g/mol. Its IUPAC name is anthracene-9,10-dione;carbonochloridic acid.

Molecular Properties

Compound Nameanthracene-9,10-dione;carbonochloridic acid
PubChem CID88712965
Molecular FormulaC15H9ClO4
Molecular Weight288.69 g/mol
Exact Mass288.02
IUPAC Nameanthracene-9,10-dione;carbonochloridic acid
SMILESO=C(O)Cl.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.CHClO2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;2-1(3)4/h1-8H;(H,3,4)
InChIKeyOAOKOTRKVNKBPE-UHFFFAOYSA-N
XLogP3.37
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze anthracene-9,10-dione;carbonochloridic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of anthracene-9,10-dione;carbonochloridic acid?
The IUPAC name of anthracene-9,10-dione;carbonochloridic acid (CID 88712965) is anthracene-9,10-dione;carbonochloridic acid.
What is the SMILES notation for anthracene-9,10-dione;carbonochloridic acid?
The canonical SMILES for anthracene-9,10-dione;carbonochloridic acid is O=C(O)Cl.O=C1c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of anthracene-9,10-dione;carbonochloridic acid?
The InChIKey is OAOKOTRKVNKBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2.CHClO2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;2-1(3)4/h1-8H;(H,3,4).
What are the key properties of anthracene-9,10-dione;carbonochloridic acid?
anthracene-9,10-dione;carbonochloridic acid has a molecular weight of 288.69 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9,10-dione;carbonochloridic acid is sourced from PubChem (CID 88712965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).