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2-Chloromalonaldehyde

CAT: 0926-FC30907-02Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FC30907-02Size:10 g
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CAS Number
36437-19-1
MDL Number
MFCD01320489
Smiles
C (=O) C (C=O) Cl
Molecular Formula
C3H3ClO2
Molecular Weight
106.51 g/mol
Controlled
No

Chemical Information

Chloromalonaldehyde

structure given in first source

CAS Number36437-19-1
PubChem CID147646
IUPAC Name2-chloropropanedial
Molecular FormulaC3H3ClO2
Molecular Weight106.51
XLogP0.1
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)Cl
InChI
InChI=1S/C3H3ClO2/c4-3(1-5)2-6/h1-3H
InChIKey
KTRZQCIGJUWSGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chloromalonaldehyde
CAS: 36437-19-1
CID: 147646
Formula: C3H3ClO2
MW: 106.51
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight106.51
XLogP30.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass105.9821570
Monoisotopic Mass105.9821570
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