methyl hypochlorite;phosphoric acid

CH6ClO5P — CID 175163315

IUPACmethyl hypochlorite;phosphoric acid
SMILESCOCl.O=P(O)(O)O
InChIInChI=1S/CH3ClO.H3O4P/c1-3-2;1-5(2,3)4/h1H3;(H3,1,2,3,4)
InChIKeyCAZCIAROGLURKE-UHFFFAOYSA-N
MW164.48 g/mol
LogP-0.14
Rot. Bonds

About methyl hypochlorite;phosphoric acid

methyl hypochlorite;phosphoric acid (PubChem CID 175163315) has the molecular formula CH6ClO5P and a molecular weight of 164.48 g/mol. Its IUPAC name is methyl hypochlorite;phosphoric acid.

Molecular Properties

Compound Namemethyl hypochlorite;phosphoric acid
PubChem CID175163315
Molecular FormulaCH6ClO5P
Molecular Weight164.48 g/mol
Exact Mass163.96
IUPAC Namemethyl hypochlorite;phosphoric acid
SMILESCOCl.O=P(O)(O)O
InChIInChI=1S/CH3ClO.H3O4P/c1-3-2;1-5(2,3)4/h1H3;(H3,1,2,3,4)
InChIKeyCAZCIAROGLURKE-UHFFFAOYSA-N
XLogP-0.14
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.48
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chloro(chlorooxy)phosphinic acid;phosphoric acid
CID 158658993
methanamine;phosphoric acid
CID 173433743
beryllium;hydride;niobium;phosphoric acid
CID 175325214
alumane;ethane;phosphoric acid
CID 173118040
beryllium;hydride;phosphoric acid;hydrofluoride
CID 173435189
potassium;hydride;phosphoric acid;trimethyl phosphate
CID 174889020
acetic acid;cobalt;phosphoric acid
CID 174842184
carbanylium;methyl dihydrogen phosphate
CID 165007935
phosphoric acid;zinc
CID 173400996
Sodium phosphate dibasic, p.a.
CID 86587427
phosphoric acid;xenon
CID 159732465
phosphane;phosphoric acid
CID 173160232

Frequently Asked Questions

What is the IUPAC name of methyl hypochlorite;phosphoric acid?
The IUPAC name of methyl hypochlorite;phosphoric acid (CID 175163315) is methyl hypochlorite;phosphoric acid.
What is the SMILES notation for methyl hypochlorite;phosphoric acid?
The canonical SMILES for methyl hypochlorite;phosphoric acid is COCl.O=P(O)(O)O.
What is the InChIKey of methyl hypochlorite;phosphoric acid?
The InChIKey is CAZCIAROGLURKE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3ClO.H3O4P/c1-3-2;1-5(2,3)4/h1H3;(H3,1,2,3,4).
What are the key properties of methyl hypochlorite;phosphoric acid?
methyl hypochlorite;phosphoric acid has a molecular weight of 164.48 g/mol, XLogP of -0.14, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hypochlorite;phosphoric acid is sourced from PubChem (CID 175163315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).