carbonochloridic acid;dihydroxy(oxo)phosphanium

CH3ClO5P+ — CID 87488779

IUPACcarbonochloridic acid;dihydroxy(oxo)phosphanium
SMILESO=C(O)Cl.O=[P+](O)O
InChIInChI=1S/CHClO2.HO3P/c2-1(3)4;1-4(2)3/h(H,3,4);(H-,1,2,3)/p+1
InChIKeyGNXWUTYEICQPQW-UHFFFAOYSA-O
MW161.46 g/mol
LogP0.53
Rot. Bonds

About carbonochloridic acid;dihydroxy(oxo)phosphanium

carbonochloridic acid;dihydroxy(oxo)phosphanium (PubChem CID 87488779) has the molecular formula CH3ClO5P+ and a molecular weight of 161.46 g/mol. Its IUPAC name is carbonochloridic acid;dihydroxy(oxo)phosphanium.

Molecular Properties

Compound Namecarbonochloridic acid;dihydroxy(oxo)phosphanium
PubChem CID87488779
Molecular FormulaCH3ClO5P+
Molecular Weight161.46 g/mol
Exact Mass160.94
IUPAC Namecarbonochloridic acid;dihydroxy(oxo)phosphanium
SMILESO=C(O)Cl.O=[P+](O)O
InChIInChI=1S/CHClO2.HO3P/c2-1(3)4;1-4(2)3/h(H,3,4);(H-,1,2,3)/p+1
InChIKeyGNXWUTYEICQPQW-UHFFFAOYSA-O
XLogP0.53
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.46
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 172835301
carbonochloridic acid;methanol
CID 159093381
bis(carbonochloridic acid);ethane
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CID 23163830
CID 161252103
CID 161252103
cadmium(2+);dihydroxy(oxo)phosphanium
CID 22506351
dihydroxy(oxo)phosphanium;dihydrochloride
CID 172680217
bis(dihydroxy(oxo)phosphanium);phosphane
CID 172799064
carbamoyl chloride;carbonochloridic acid
CID 88841427
carbonochloridic acid;cycloundecane
CID 88753248
CID 175732949
CID 175732949
dihydroxy(oxo)phosphanium;methane;hydrofluoride
CID 174260259

Frequently Asked Questions

What is the IUPAC name of carbonochloridic acid;dihydroxy(oxo)phosphanium?
The IUPAC name of carbonochloridic acid;dihydroxy(oxo)phosphanium (CID 87488779) is carbonochloridic acid;dihydroxy(oxo)phosphanium.
What is the SMILES notation for carbonochloridic acid;dihydroxy(oxo)phosphanium?
The canonical SMILES for carbonochloridic acid;dihydroxy(oxo)phosphanium is O=C(O)Cl.O=[P+](O)O.
What is the InChIKey of carbonochloridic acid;dihydroxy(oxo)phosphanium?
The InChIKey is GNXWUTYEICQPQW-UHFFFAOYSA-O. The full InChI is InChI=1S/CHClO2.HO3P/c2-1(3)4;1-4(2)3/h(H,3,4);(H-,1,2,3)/p+1.
What are the key properties of carbonochloridic acid;dihydroxy(oxo)phosphanium?
carbonochloridic acid;dihydroxy(oxo)phosphanium has a molecular weight of 161.46 g/mol, XLogP of 0.53, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridic acid;dihydroxy(oxo)phosphanium is sourced from PubChem (CID 87488779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).