Dibromoacetaldehyde

CAT: 1596-AR-M03283-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M03283-06Size:250 Units

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CAS Number

3039-13-2

Synonyms

2,2-dibromoacetaldehyde; Acetaldehyde, dibromo-; Dibromo-Acetaldehyde; dibromacetaldehyde; SCHEMBL3897423; DTXSID60184476

Molecular Formula

C2H2Br2O

Molecular Weight

201.84

API Name

Miscellaneous

Chemical Information

Dibromoacetaldehyde

2,2-Dibromoethanal has been reported in Asparagopsis armata with data available.

CAS Number	3039-13-2
PubChem CID	18223
IUPAC Name	2,2-dibromoacetaldehyde
Molecular Formula	C2H2Br2O
Molecular Weight	201.84
XLogP	1.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	5
Formal Charge	0
Complexity	34

SMILES

C(=O)C(Br)Br

InChI

InChI=1S/C2H2Br2O/c3-2(4)1-5/h1-2H

InChIKey

XIVPMNIFAAGBOY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3039-13-2

CID: 18223

Formula: C2H2Br2O

MW: 201.84

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.84
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	201.84519
Monoisotopic Mass	199.84724
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	34.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FD172168-01	Dibromoacetaldehyde
RM-D552500-01	Dibromoacetaldehyde discontinued