calcium;carbonic acid;dibromide

CH2Br2CaO3 — CID 174832519

IUPACcalcium;carbonic acid;dibromide
SMILESO=C(O)O.[Br-].[Br-].[Ca+2]
InChIInChI=1S/CH2O3.2BrH.Ca/c2-1(3)4;;;/h(H2,2,3,4);2*1H;/q;;;+2/p-2
InChIKeyKJLWTMZADCMOMV-UHFFFAOYSA-L
MW261.91 g/mol
LogP-6.15
Rot. Bonds

About calcium;carbonic acid;dibromide

calcium;carbonic acid;dibromide (PubChem CID 174832519) has the molecular formula CH2Br2CaO3 and a molecular weight of 261.91 g/mol. Its IUPAC name is calcium;carbonic acid;dibromide.

Molecular Properties

Compound Namecalcium;carbonic acid;dibromide
PubChem CID174832519
Molecular FormulaCH2Br2CaO3
Molecular Weight261.91 g/mol
Exact Mass259.80
IUPAC Namecalcium;carbonic acid;dibromide
SMILESO=C(O)O.[Br-].[Br-].[Ca+2]
InChIInChI=1S/CH2O3.2BrH.Ca/c2-1(3)4;;;/h(H2,2,3,4);2*1H;/q;;;+2/p-2
InChIKeyKJLWTMZADCMOMV-UHFFFAOYSA-L
XLogP-6.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.91
LogP ≤ 5-6.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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calcium;carbonic acid;hydride;dihydrochloride
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dicalcium;dimagnesium;carbonic acid;hydride
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Frequently Asked Questions

What is the IUPAC name of calcium;carbonic acid;dibromide?
The IUPAC name of calcium;carbonic acid;dibromide (CID 174832519) is calcium;carbonic acid;dibromide.
What is the SMILES notation for calcium;carbonic acid;dibromide?
The canonical SMILES for calcium;carbonic acid;dibromide is O=C(O)O.[Br-].[Br-].[Ca+2].
What is the InChIKey of calcium;carbonic acid;dibromide?
The InChIKey is KJLWTMZADCMOMV-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.2BrH.Ca/c2-1(3)4;;;/h(H2,2,3,4);2*1H;/q;;;+2/p-2.
What are the key properties of calcium;carbonic acid;dibromide?
calcium;carbonic acid;dibromide has a molecular weight of 261.91 g/mol, XLogP of -6.15, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;carbonic acid;dibromide is sourced from PubChem (CID 174832519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).