2,3-dihydroxypropyl hypobromite

C3H7BrO3 — CID 23618335

IUPAC2,3-dihydroxypropyl hypobromite
SMILESOCC(O)COBr
InChIInChI=1S/C3H7BrO3/c4-7-2-3(6)1-5/h3,5-6H,1-2H2
InChIKeyQKLTWTXYGRNBIX-UHFFFAOYSA-N
MW170.99 g/mol
LogP-0.33
Rot. Bonds3

About 2,3-dihydroxypropyl hypobromite

2,3-dihydroxypropyl hypobromite (PubChem CID 23618335) has the molecular formula C3H7BrO3 and a molecular weight of 170.99 g/mol. Its IUPAC name is 2,3-dihydroxypropyl hypobromite.

Molecular Properties

Compound Name2,3-dihydroxypropyl hypobromite
PubChem CID23618335
Molecular FormulaC3H7BrO3
Molecular Weight170.99 g/mol
Exact Mass169.96
IUPAC Name2,3-dihydroxypropyl hypobromite
SMILESOCC(O)COBr
InChIInChI=1S/C3H7BrO3/c4-7-2-3(6)1-5/h3,5-6H,1-2H2
InChIKeyQKLTWTXYGRNBIX-UHFFFAOYSA-N
XLogP-0.33
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.99
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
CID 174372262
3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol
CID 59854090
2,3-dihydroxypropyl hypochlorite
CID 54142459
3-alumanyloxypropane-1,2-diol;hydrate
CID 175040136
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
CID 88654281
CID 88654281
(2R)-3-[(E)-prop-1-enoxy]propane-1,2-diol
CID 131246750
2,3-dihydroxypropyl-λ2-stannane
CID 174786480
CID 135334439
CID 135334439
3-(sulfanylmethoxy)propane-1,2-diol
CID 87475108
3-[6-(2,3-dihydroxypropoxy)-2,3,4,5-tetraiodohexa-2,4-dienoxy]propane-1,2-diol
CID 85076926

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl hypobromite?
The IUPAC name of 2,3-dihydroxypropyl hypobromite (CID 23618335) is 2,3-dihydroxypropyl hypobromite.
What is the SMILES notation for 2,3-dihydroxypropyl hypobromite?
The canonical SMILES for 2,3-dihydroxypropyl hypobromite is OCC(O)COBr.
What is the InChIKey of 2,3-dihydroxypropyl hypobromite?
The InChIKey is QKLTWTXYGRNBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7BrO3/c4-7-2-3(6)1-5/h3,5-6H,1-2H2.
What are the key properties of 2,3-dihydroxypropyl hypobromite?
2,3-dihydroxypropyl hypobromite has a molecular weight of 170.99 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl hypobromite is sourced from PubChem (CID 23618335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).