calcium;chloro(dioxido)borane;phosphane

H3BCaClO2P — CID 172820031

IUPACcalcium;chloro(dioxido)borane;phosphane
SMILESP.[Ca+2].[O-]B([O-])Cl
InChIInChI=1S/BClO2.Ca.H3P/c2-1(3)4;;/h;;1H3/q-2;+2;
InChIKeyUCHVJPJVMYREPZ-UHFFFAOYSA-N
MW152.34 g/mol
LogP-2.39
Rot. Bonds

About calcium;chloro(dioxido)borane;phosphane

calcium;chloro(dioxido)borane;phosphane (PubChem CID 172820031) has the molecular formula H3BCaClO2P and a molecular weight of 152.34 g/mol. Its IUPAC name is calcium;chloro(dioxido)borane;phosphane.

Molecular Properties

Compound Namecalcium;chloro(dioxido)borane;phosphane
PubChem CID172820031
Molecular FormulaH3BCaClO2P
Molecular Weight152.34 g/mol
Exact Mass151.93
IUPAC Namecalcium;chloro(dioxido)borane;phosphane
SMILESP.[Ca+2].[O-]B([O-])Cl
InChIInChI=1S/BClO2.Ca.H3P/c2-1(3)4;;/h;;1H3/q-2;+2;
InChIKeyUCHVJPJVMYREPZ-UHFFFAOYSA-N
XLogP-2.39
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.34
LogP ≤ 5-2.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chloro(dioxido)borane;manganese(2+)
CID 175164810
calcium;lithium;borate
CID 139040925
calcium;lanthanum(3+);borate;hydrate
CID 172832291
nonacalcium;pentalithium;heptaborate;difluoride
CID 139139491
CID 10153980
CID 10153980
Al2 (Mo3 O12)
CID 139045823
Aluminium--molybdenum (5/1)
CID 78062160
pentacalcium;dihydrogen borate;triborate
CID 157490857
tetrakis(ytterbium(3+));tetraborate
CID 158376786
dialuminum diborate
CID 22359065
dibismuth diborate
CID 159089298
tetraborate;pentahydrate
CID 18463322

Frequently Asked Questions

What is the IUPAC name of calcium;chloro(dioxido)borane;phosphane?
The IUPAC name of calcium;chloro(dioxido)borane;phosphane (CID 172820031) is calcium;chloro(dioxido)borane;phosphane.
What is the SMILES notation for calcium;chloro(dioxido)borane;phosphane?
The canonical SMILES for calcium;chloro(dioxido)borane;phosphane is P.[Ca+2].[O-]B([O-])Cl.
What is the InChIKey of calcium;chloro(dioxido)borane;phosphane?
The InChIKey is UCHVJPJVMYREPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/BClO2.Ca.H3P/c2-1(3)4;;/h;;1H3/q-2;+2;.
What are the key properties of calcium;chloro(dioxido)borane;phosphane?
calcium;chloro(dioxido)borane;phosphane has a molecular weight of 152.34 g/mol, XLogP of -2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;chloro(dioxido)borane;phosphane is sourced from PubChem (CID 172820031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).