carbonic acid;dichloromethane

C2H4Cl2O3 — CID 87514103

IUPACcarbonic acid;dichloromethane
SMILESClCCl.O=C(O)O
InChIInChI=1S/CH2Cl2.CH2O3/c2-1-3;2-1(3)4/h1H2;(H2,2,3,4)
InChIKeyONUXQSRJEUWADE-UHFFFAOYSA-N
MW146.96 g/mol
LogP1.64
Rot. Bonds

About carbonic acid;dichloromethane

carbonic acid;dichloromethane (PubChem CID 87514103) has the molecular formula C2H4Cl2O3 and a molecular weight of 146.96 g/mol. Its IUPAC name is carbonic acid;dichloromethane.

Molecular Properties

Compound Namecarbonic acid;dichloromethane
PubChem CID87514103
Molecular FormulaC2H4Cl2O3
Molecular Weight146.96 g/mol
Exact Mass145.95
IUPAC Namecarbonic acid;dichloromethane
SMILESClCCl.O=C(O)O
InChIInChI=1S/CH2Cl2.CH2O3/c2-1-3;2-1(3)4/h1H2;(H2,2,3,4)
InChIKeyONUXQSRJEUWADE-UHFFFAOYSA-N
XLogP1.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.96
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;dichloromethane?
The IUPAC name of carbonic acid;dichloromethane (CID 87514103) is carbonic acid;dichloromethane.
What is the SMILES notation for carbonic acid;dichloromethane?
The canonical SMILES for carbonic acid;dichloromethane is ClCCl.O=C(O)O.
What is the InChIKey of carbonic acid;dichloromethane?
The InChIKey is ONUXQSRJEUWADE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2Cl2.CH2O3/c2-1-3;2-1(3)4/h1H2;(H2,2,3,4).
What are the key properties of carbonic acid;dichloromethane?
carbonic acid;dichloromethane has a molecular weight of 146.96 g/mol, XLogP of 1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;dichloromethane is sourced from PubChem (CID 87514103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).