calcium bromo carbonate

C2Br2CaO6 — CID 142761680

IUPACcalcium bromo carbonate
SMILESO=C([O-])OBr.O=C([O-])OBr.[Ca+2]
InChIInChI=1S/2CHBrO3.Ca/c2*2-5-1(3)4;/h2*(H,3,4);/q;;+2/p-2
InChIKeyMAJCKLJFMQJJHF-UHFFFAOYSA-L
MW319.90 g/mol
LogP-1.07
Rot. Bonds

About calcium bromo carbonate

calcium bromo carbonate (PubChem CID 142761680) has the molecular formula C2Br2CaO6 and a molecular weight of 319.90 g/mol. Its IUPAC name is calcium bromo carbonate.

Molecular Properties

Compound Namecalcium bromo carbonate
PubChem CID142761680
Molecular FormulaC2Br2CaO6
Molecular Weight319.90 g/mol
Exact Mass317.77
IUPAC Namecalcium bromo carbonate
SMILESO=C([O-])OBr.O=C([O-])OBr.[Ca+2]
InChIInChI=1S/2CHBrO3.Ca/c2*2-5-1(3)4;/h2*(H,3,4);/q;;+2/p-2
InChIKeyMAJCKLJFMQJJHF-UHFFFAOYSA-L
XLogP-1.07
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.90
LogP ≤ 5-1.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of calcium bromo carbonate?
The IUPAC name of calcium bromo carbonate (CID 142761680) is calcium bromo carbonate.
What is the SMILES notation for calcium bromo carbonate?
The canonical SMILES for calcium bromo carbonate is O=C([O-])OBr.O=C([O-])OBr.[Ca+2].
What is the InChIKey of calcium bromo carbonate?
The InChIKey is MAJCKLJFMQJJHF-UHFFFAOYSA-L. The full InChI is InChI=1S/2CHBrO3.Ca/c2*2-5-1(3)4;/h2*(H,3,4);/q;;+2/p-2.
What are the key properties of calcium bromo carbonate?
calcium bromo carbonate has a molecular weight of 319.90 g/mol, XLogP of -1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium bromo carbonate is sourced from PubChem (CID 142761680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).