magnesium;carbonic acid;dibromide

C6H12Br2MgO18 — CID 175416809

IUPACmagnesium;carbonic acid;dibromide
SMILESO=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.[Br-].[Br-].[Mg+2]
InChIInChI=1S/6CH2O3.2BrH.Mg/c6*2-1(3)4;;;/h6*(H2,2,3,4);2*1H;/q;;;;;;;;+2/p-2
InChIKeyBNDATZQWZDBTIV-UHFFFAOYSA-L
MW556.26 g/mol
LogP-5.04
Rot. Bonds

About magnesium;carbonic acid;dibromide

magnesium;carbonic acid;dibromide (PubChem CID 175416809) has the molecular formula C6H12Br2MgO18 and a molecular weight of 556.26 g/mol. Its IUPAC name is magnesium;carbonic acid;dibromide.

Molecular Properties

Compound Namemagnesium;carbonic acid;dibromide
PubChem CID175416809
Molecular FormulaC6H12Br2MgO18
Molecular Weight556.26 g/mol
Exact Mass553.82
IUPAC Namemagnesium;carbonic acid;dibromide
SMILESO=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.[Br-].[Br-].[Mg+2]
InChIInChI=1S/6CH2O3.2BrH.Mg/c6*2-1(3)4;;;/h6*(H2,2,3,4);2*1H;/q;;;;;;;;+2/p-2
InChIKeyBNDATZQWZDBTIV-UHFFFAOYSA-L
XLogP-5.04
TPSA345.18 Ų
H-Bond Donors12
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.26
LogP ≤ 5-5.04
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 106

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Related Compounds

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dimagnesium;carbanide;carbonic acid
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calcium;carbonic acid;dibromide
CID 174832519
calcium;magnesium;carbonic acid;oxygen(2-)
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magnesium;potassium;carbonic acid;hydride
CID 173403726
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CID 174770084
hexamagnesium;alumane;carbonic acid;hydride
CID 173485627
magnesium;carbonic acid;hydride;trihydrate
CID 173024872
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Frequently Asked Questions

What is the IUPAC name of magnesium;carbonic acid;dibromide?
The IUPAC name of magnesium;carbonic acid;dibromide (CID 175416809) is magnesium;carbonic acid;dibromide.
What is the SMILES notation for magnesium;carbonic acid;dibromide?
The canonical SMILES for magnesium;carbonic acid;dibromide is O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.[Br-].[Br-].[Mg+2].
What is the InChIKey of magnesium;carbonic acid;dibromide?
The InChIKey is BNDATZQWZDBTIV-UHFFFAOYSA-L. The full InChI is InChI=1S/6CH2O3.2BrH.Mg/c6*2-1(3)4;;;/h6*(H2,2,3,4);2*1H;/q;;;;;;;;+2/p-2.
What are the key properties of magnesium;carbonic acid;dibromide?
magnesium;carbonic acid;dibromide has a molecular weight of 556.26 g/mol, XLogP of -5.04, 0 rotatable bonds, 12 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;carbonic acid;dibromide is sourced from PubChem (CID 175416809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).