chloroform;isoindole-1,3-dione

C9H6Cl3NO2 — CID 157323823

IUPACchloroform;isoindole-1,3-dione
SMILESClC(Cl)Cl.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C8H5NO2.CHCl3/c10-7-5-3-1-2-4-6(5)8(11)9-7;2-1(3)4/h1-4H,(H,9,10,11);1H
InChIKeyBEMBHCHICWEKFQ-UHFFFAOYSA-N
MW266.51 g/mol
LogP2.56
Rot. Bonds

About chloroform;isoindole-1,3-dione

chloroform;isoindole-1,3-dione (PubChem CID 157323823) has the molecular formula C9H6Cl3NO2 and a molecular weight of 266.51 g/mol. Its IUPAC name is chloroform;isoindole-1,3-dione.

Molecular Properties

Compound Namechloroform;isoindole-1,3-dione
PubChem CID157323823
Molecular FormulaC9H6Cl3NO2
Molecular Weight266.51 g/mol
Exact Mass264.95
IUPAC Namechloroform;isoindole-1,3-dione
SMILESClC(Cl)Cl.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C8H5NO2.CHCl3/c10-7-5-3-1-2-4-6(5)8(11)9-7;2-1(3)4/h1-4H,(H,9,10,11);1H
InChIKeyBEMBHCHICWEKFQ-UHFFFAOYSA-N
XLogP2.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.51
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloroform;isoindole-1,3-dione?
The IUPAC name of chloroform;isoindole-1,3-dione (CID 157323823) is chloroform;isoindole-1,3-dione.
What is the SMILES notation for chloroform;isoindole-1,3-dione?
The canonical SMILES for chloroform;isoindole-1,3-dione is ClC(Cl)Cl.O=C1NC(=O)c2ccccc21.
What is the InChIKey of chloroform;isoindole-1,3-dione?
The InChIKey is BEMBHCHICWEKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2.CHCl3/c10-7-5-3-1-2-4-6(5)8(11)9-7;2-1(3)4/h1-4H,(H,9,10,11);1H.
What are the key properties of chloroform;isoindole-1,3-dione?
chloroform;isoindole-1,3-dione has a molecular weight of 266.51 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;isoindole-1,3-dione is sourced from PubChem (CID 157323823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).