(2Z)-4,6-dichloro-2-hydroxyiminoindene-1,3-dione

C9H3Cl2NO3 — CID 87794112

IUPAC(2Z)-4,6-dichloro-2-hydroxyiminoindene-1,3-dione
SMILESO=c1/c(=N/O)c(=O)c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C9H3Cl2NO3/c10-3-1-4-6(5(11)2-3)9(14)7(12-15)8(4)13/h1-2,15H/b12-7-
InChIKeyXGGRURJGFYBNKZ-GHXNOFRVSA-N
MW244.03 g/mol
LogP1.03
Rot. Bonds

About (2Z)-4,6-dichloro-2-hydroxyiminoindene-1,3-dione

(2Z)-4,6-dichloro-2-hydroxyiminoindene-1,3-dione (PubChem CID 87794112) has the molecular formula C9H3Cl2NO3 and a molecular weight of 244.03 g/mol. Its IUPAC name is (2Z)-4,6-dichloro-2-hydroxyiminoindene-1,3-dione.

Molecular Properties

Compound Name(2Z)-4,6-dichloro-2-hydroxyiminoindene-1,3-dione
PubChem CID87794112
Molecular FormulaC9H3Cl2NO3
Molecular Weight244.03 g/mol
Exact Mass242.95
IUPAC Name(2Z)-4,6-dichloro-2-hydroxyiminoindene-1,3-dione
SMILESO=c1/c(=N/O)c(=O)c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C9H3Cl2NO3/c10-3-1-4-6(5(11)2-3)9(14)7(12-15)8(4)13/h1-2,15H/b12-7-
InChIKeyXGGRURJGFYBNKZ-GHXNOFRVSA-N
XLogP1.03
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.03
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', '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 (2Z)-4,6-dichloro-2-hydroxyiminoindene-1,3-dione?
The IUPAC name of (2Z)-4,6-dichloro-2-hydroxyiminoindene-1,3-dione (CID 87794112) is (2Z)-4,6-dichloro-2-hydroxyiminoindene-1,3-dione.
What is the SMILES notation for (2Z)-4,6-dichloro-2-hydroxyiminoindene-1,3-dione?
The canonical SMILES for (2Z)-4,6-dichloro-2-hydroxyiminoindene-1,3-dione is O=c1/c(=N/O)c(=O)c2c(Cl)cc(Cl)cc12.
What is the InChIKey of (2Z)-4,6-dichloro-2-hydroxyiminoindene-1,3-dione?
The InChIKey is XGGRURJGFYBNKZ-GHXNOFRVSA-N. The full InChI is InChI=1S/C9H3Cl2NO3/c10-3-1-4-6(5(11)2-3)9(14)7(12-15)8(4)13/h1-2,15H/b12-7-.
What are the key properties of (2Z)-4,6-dichloro-2-hydroxyiminoindene-1,3-dione?
(2Z)-4,6-dichloro-2-hydroxyiminoindene-1,3-dione has a molecular weight of 244.03 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4,6-dichloro-2-hydroxyiminoindene-1,3-dione is sourced from PubChem (CID 87794112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).