barium(2+);carbonobromidic acid;hydride

CH3BaBrO2 — CID 174557761

IUPACbarium(2+);carbonobromidic acid;hydride
SMILESO=C(O)Br.[Ba+2].[H-].[H-]
InChIInChI=1S/CHBrO2.Ba.2H/c2-1(3)4;;;/h(H,3,4);;;/q;+2;2*-1
InChIKeyCAOAWKGCYWNVNL-UHFFFAOYSA-N
MW264.26 g/mol
LogP0.90
Rot. Bonds

About barium(2+);carbonobromidic acid;hydride

barium(2+);carbonobromidic acid;hydride (PubChem CID 174557761) has the molecular formula CH3BaBrO2 and a molecular weight of 264.26 g/mol. Its IUPAC name is barium(2+);carbonobromidic acid;hydride.

Molecular Properties

Compound Namebarium(2+);carbonobromidic acid;hydride
PubChem CID174557761
Molecular FormulaCH3BaBrO2
Molecular Weight264.26 g/mol
Exact Mass263.84
IUPAC Namebarium(2+);carbonobromidic acid;hydride
SMILESO=C(O)Br.[Ba+2].[H-].[H-]
InChIInChI=1S/CHBrO2.Ba.2H/c2-1(3)4;;;/h(H,3,4);;;/q;+2;2*-1
InChIKeyCAOAWKGCYWNVNL-UHFFFAOYSA-N
XLogP0.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 160881436
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CID 173204441
CID 173204441
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CID 174676373
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CID 174906012
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CID 173020398
carbamic acid;carbonyl dibromide
CID 161235420
magnesium;carbonic acid;hydride
CID 173064498
sodium;carbonic acid;hydride
CID 173065911
trimagnesium;carbonic acid;hydride
CID 173236021
potassium;carbonic acid;iodide
CID 158398287
trisodium;carbonic acid;hydride
CID 173012363

Frequently Asked Questions

What is the IUPAC name of barium(2+);carbonobromidic acid;hydride?
The IUPAC name of barium(2+);carbonobromidic acid;hydride (CID 174557761) is barium(2+);carbonobromidic acid;hydride.
What is the SMILES notation for barium(2+);carbonobromidic acid;hydride?
The canonical SMILES for barium(2+);carbonobromidic acid;hydride is O=C(O)Br.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);carbonobromidic acid;hydride?
The InChIKey is CAOAWKGCYWNVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/CHBrO2.Ba.2H/c2-1(3)4;;;/h(H,3,4);;;/q;+2;2*-1.
What are the key properties of barium(2+);carbonobromidic acid;hydride?
barium(2+);carbonobromidic acid;hydride has a molecular weight of 264.26 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);carbonobromidic acid;hydride is sourced from PubChem (CID 174557761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).