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6-Chloropyrazine-2-carbaldehyde

CAT: 0127-OR1045021-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1045021-01Size:100 mg
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CAS Number
874114-34-8
MDL Number
MFCD10698568
Purity
95%
Smiles
ClC1=NC(C=O)=CN=C1

Chemical Information

6-Chloropyrazine-2-carbaldehyde
CAS Number874114-34-8
PubChem CID11693922
IUPAC Name6-chloropyrazine-2-carbaldehyde
Molecular FormulaC5H3ClN2O
Molecular Weight142.54
XLogP0.5
Topological Polar Surface Area42.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity109
SMILES
C1=C(N=C(C=N1)Cl)C=O
InChI
InChI=1S/C5H3ClN2O/c6-5-2-7-1-4(3-9)8-5/h1-3H
InChIKey
NWLIHAPBHUZMAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Chloropyrazine-2-carbaldehyde
CAS: 874114-34-8
CID: 11693922
Formula: C5H3ClN2O
MW: 142.54
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.54
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass141.9933904
Monoisotopic Mass141.9933904
Topological Polar Surface Area42.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity109
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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