calcium;boric acid;hydride;hydrobromide

H6BBrCaO3 — CID 175516722

IUPACcalcium;boric acid;hydride;hydrobromide
SMILESBr.OB(O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/BH3O3.BrH.Ca.2H/c2-1(3)4;;;;/h2-4H;1H;;;/q;;+2;2*-1
InChIKeyOUMCJYAZEOAMKY-UHFFFAOYSA-N
MW184.84 g/mol
LogP-1.63
Rot. Bonds

About calcium;boric acid;hydride;hydrobromide

calcium;boric acid;hydride;hydrobromide (PubChem CID 175516722) has the molecular formula H6BBrCaO3 and a molecular weight of 184.84 g/mol. Its IUPAC name is calcium;boric acid;hydride;hydrobromide.

Molecular Properties

Compound Namecalcium;boric acid;hydride;hydrobromide
PubChem CID175516722
Molecular FormulaH6BBrCaO3
Molecular Weight184.84 g/mol
Exact Mass183.92
IUPAC Namecalcium;boric acid;hydride;hydrobromide
SMILESBr.OB(O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/BH3O3.BrH.Ca.2H/c2-1(3)4;;;;/h2-4H;1H;;;/q;;+2;2*-1
InChIKeyOUMCJYAZEOAMKY-UHFFFAOYSA-N
XLogP-1.63
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.84
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

calcium;lithium;boric acid;hydride
CID 173271549
calcium;boric acid;hydride;yttrium
CID 173121923
calcium;magnesium;boric acid;hydride;manganese
CID 173076868
boric acid;molybdenum;silane
CID 173078881
dopentacontalithium;boric acid;hydride
CID 173414806
disodium;boric acid;hydride
CID 173442706
sodium;boric acid;hydride
CID 173451798
boric acid
CID 173080807
lithium;boric acid;hydride;λ2-stannane
CID 173259149
potassium;boric acid;hydride;dihydrate
CID 175521118
sodium;boric acid;hydride;tetrahydrate
CID 173005468
beryllium;boric acid;hydride;hydrofluoride
CID 173096580

Frequently Asked Questions

What is the IUPAC name of calcium;boric acid;hydride;hydrobromide?
The IUPAC name of calcium;boric acid;hydride;hydrobromide (CID 175516722) is calcium;boric acid;hydride;hydrobromide.
What is the SMILES notation for calcium;boric acid;hydride;hydrobromide?
The canonical SMILES for calcium;boric acid;hydride;hydrobromide is Br.OB(O)O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;boric acid;hydride;hydrobromide?
The InChIKey is OUMCJYAZEOAMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3O3.BrH.Ca.2H/c2-1(3)4;;;;/h2-4H;1H;;;/q;;+2;2*-1.
What are the key properties of calcium;boric acid;hydride;hydrobromide?
calcium;boric acid;hydride;hydrobromide has a molecular weight of 184.84 g/mol, XLogP of -1.63, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;boric acid;hydride;hydrobromide is sourced from PubChem (CID 175516722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).