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2-Bromo-3-hydroxyacrylaldehyde

HCID 170565
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=CC(Br)=CO
InChIKey
LBJIORYARIDXKA-UHFFFAOYSA-N
Molecular formula
C3H3BrO2
Average molar mass
150.96 g/mol

Names & identifiers

Preferred name
2-Bromo-3-hydroxyacrylaldehyde
IUPAC
2-bromo-3-hydroxyprop-2-enal

Names & synonyms

2-Bromo-3-hydroxyacrylaldehyde2-bromo-3-hydroxyacrolein2-bromo-3-hydroxypropenalSCHEMBL2862592LBJIORYARIDXKA-UHFFFAOYSA-N19263-02-6SY476244

Database identifiers

PubChem CID
170565

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
6
Formal charge
0
Complexity
76.9

Related reactions

4 records
New reaction record
HRID 6862 reaction equation
HRID 6862As reactantuspto-grants-2006_08
HRID 1158908 reaction equation
HRID 1158908As reactantuspto-grants-2010_10
HRID 1985746 reaction equation
HRID 1985746As reactantuspto-grants-2009_06
HRID 2216611 reaction equation
HRID 2216611As reactantuspto-grants-2006_09

Compound notes

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