ethyl hypobromite;hydrate

C2H7BrO2 — CID 174907776

IUPACethyl hypobromite;hydrate
SMILESCCOBr.O
InChIInChI=1S/C2H5BrO.H2O/c1-2-4-3;/h2H2,1H3;1H2
InChIKeyXUXPJEHTGNYAKV-UHFFFAOYSA-N
MW142.98 g/mol
LogP0.51
Rot. Bonds1

About ethyl hypobromite;hydrate

ethyl hypobromite;hydrate (PubChem CID 174907776) has the molecular formula C2H7BrO2 and a molecular weight of 142.98 g/mol. Its IUPAC name is ethyl hypobromite;hydrate.

Molecular Properties

Compound Nameethyl hypobromite;hydrate
PubChem CID174907776
Molecular FormulaC2H7BrO2
Molecular Weight142.98 g/mol
Exact Mass141.96
IUPAC Nameethyl hypobromite;hydrate
SMILESCCOBr.O
InChIInChI=1S/C2H5BrO.H2O/c1-2-4-3;/h2H2,1H3;1H2
InChIKeyXUXPJEHTGNYAKV-UHFFFAOYSA-N
XLogP0.51
TPSA40.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.98
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethoxyethane;hydrate
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triethoxy(methyl)silane;hydrate
CID 159569985
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CID 174524200
CID 135083812
CID 135083812
methoxy(trimethyl)silane;propane
CID 159907715
copper;propane
CID 159395647
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CID 162082112
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CID 159053021

Frequently Asked Questions

What is the IUPAC name of ethyl hypobromite;hydrate?
The IUPAC name of ethyl hypobromite;hydrate (CID 174907776) is ethyl hypobromite;hydrate.
What is the SMILES notation for ethyl hypobromite;hydrate?
The canonical SMILES for ethyl hypobromite;hydrate is CCOBr.O.
What is the InChIKey of ethyl hypobromite;hydrate?
The InChIKey is XUXPJEHTGNYAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BrO.H2O/c1-2-4-3;/h2H2,1H3;1H2.
What are the key properties of ethyl hypobromite;hydrate?
ethyl hypobromite;hydrate has a molecular weight of 142.98 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hypobromite;hydrate is sourced from PubChem (CID 174907776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).