dichloromethane;isoindole-1,3-dione

C9H7Cl2NO2 — CID 159399465

IUPACdichloromethane;isoindole-1,3-dione
SMILESClCCl.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C8H5NO2.CH2Cl2/c10-7-5-3-1-2-4-6(5)8(11)9-7;2-1-3/h1-4H,(H,9,10,11);1H2
InChIKeyLNDPZFWBDZOKLV-UHFFFAOYSA-N
MW232.07 g/mol
LogP1.99
Rot. Bonds

About dichloromethane;isoindole-1,3-dione

dichloromethane;isoindole-1,3-dione (PubChem CID 159399465) has the molecular formula C9H7Cl2NO2 and a molecular weight of 232.07 g/mol. Its IUPAC name is dichloromethane;isoindole-1,3-dione.

Molecular Properties

Compound Namedichloromethane;isoindole-1,3-dione
PubChem CID159399465
Molecular FormulaC9H7Cl2NO2
Molecular Weight232.07 g/mol
Exact Mass230.99
IUPAC Namedichloromethane;isoindole-1,3-dione
SMILESClCCl.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C8H5NO2.CH2Cl2/c10-7-5-3-1-2-4-6(5)8(11)9-7;2-1-3/h1-4H,(H,9,10,11);1H2
InChIKeyLNDPZFWBDZOKLV-UHFFFAOYSA-N
XLogP1.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 51.99
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 dichloromethane;isoindole-1,3-dione?
The IUPAC name of dichloromethane;isoindole-1,3-dione (CID 159399465) is dichloromethane;isoindole-1,3-dione.
What is the SMILES notation for dichloromethane;isoindole-1,3-dione?
The canonical SMILES for dichloromethane;isoindole-1,3-dione is ClCCl.O=C1NC(=O)c2ccccc21.
What is the InChIKey of dichloromethane;isoindole-1,3-dione?
The InChIKey is LNDPZFWBDZOKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2.CH2Cl2/c10-7-5-3-1-2-4-6(5)8(11)9-7;2-1-3/h1-4H,(H,9,10,11);1H2.
What are the key properties of dichloromethane;isoindole-1,3-dione?
dichloromethane;isoindole-1,3-dione has a molecular weight of 232.07 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;isoindole-1,3-dione is sourced from PubChem (CID 159399465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).