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2-Bromomalonaldehyde

CAT: 0926-FB16114-01Size: 0.05 kgDry Ice: NoHazardous: No
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CAT#:0926-FB16114-01Size:0.05 kg
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CAS Number
2065-75-0
MDL Number
MFCD00459999
Smiles
C (=O) C (C=O) Br
Molecular Formula
C3H3BrO2
Molecular Weight
150.96 g/mol
Controlled
No

Chemical Information

2-Bromopropanedial
CAS Number2065-75-0
PubChem CID74945
IUPAC Name2-bromopropanedial
Molecular FormulaC3H3BrO2
Molecular Weight150.96
XLogP0.2
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity53
SMILES
C(=O)C(C=O)Br
InChI
InChI=1S/C3H3BrO2/c4-3(1-5)2-6/h1-3H
InChIKey
SURMYNZXHKLDFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromopropanedial
CAS: 2065-75-0
CID: 74945
Formula: C3H3BrO2
MW: 150.96
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.96
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass149.93164
Monoisotopic Mass149.93164
Topological Polar Surface Area34.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity53.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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