carbonochloridic acid;methanol

C2H5ClO3 — CID 159093381

IUPACcarbonochloridic acid;methanol
SMILESCO.O=C(O)Cl
InChIInChI=1S/CHClO2.CH4O/c2-1(3)4;1-2/h(H,3,4);2H,1H3
InChIKeyKCIVBKAGBBWXIL-UHFFFAOYSA-N
MW112.51 g/mol
LogP0.51
Rot. Bonds

About carbonochloridic acid;methanol

carbonochloridic acid;methanol (PubChem CID 159093381) has the molecular formula C2H5ClO3 and a molecular weight of 112.51 g/mol. Its IUPAC name is carbonochloridic acid;methanol.

Molecular Properties

Compound Namecarbonochloridic acid;methanol
PubChem CID159093381
Molecular FormulaC2H5ClO3
Molecular Weight112.51 g/mol
Exact Mass111.99
IUPAC Namecarbonochloridic acid;methanol
SMILESCO.O=C(O)Cl
InChIInChI=1S/CHClO2.CH4O/c2-1(3)4;1-2/h(H,3,4);2H,1H3
InChIKeyKCIVBKAGBBWXIL-UHFFFAOYSA-N
XLogP0.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.51
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbonochloridic acid;methanol?
The IUPAC name of carbonochloridic acid;methanol (CID 159093381) is carbonochloridic acid;methanol.
What is the SMILES notation for carbonochloridic acid;methanol?
The canonical SMILES for carbonochloridic acid;methanol is CO.O=C(O)Cl.
What is the InChIKey of carbonochloridic acid;methanol?
The InChIKey is KCIVBKAGBBWXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/CHClO2.CH4O/c2-1(3)4;1-2/h(H,3,4);2H,1H3.
What are the key properties of carbonochloridic acid;methanol?
carbonochloridic acid;methanol has a molecular weight of 112.51 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridic acid;methanol is sourced from PubChem (CID 159093381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).