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2-Chloro-6-methylpyrazine

CAT: 0013-GTR19251579-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19251579-01Size:1 g
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Description
2-Chloro-6-methylpyrazine
CAS Number
38557-71-0
Smiles
CC1=CN=CC (Cl) =N1
Molecular Formula
C5H5ClN2
Molecular Weight
128.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Chloro-6-methylpyrazine
CAS Number38557-71-0
PubChem CID7170095
IUPAC Name2-chloro-6-methylpyrazine
Molecular FormulaC5H5ClN2
Molecular Weight128.56
XLogP1
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity76
SMILES
CC1=CN=CC(=N1)Cl
InChI
InChI=1S/C5H5ClN2/c1-4-2-7-3-5(6)8-4/h2-3H,1H3
InChIKey
CKUVSPQGYLELRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-6-methylpyrazine
CAS: 38557-71-0
CID: 7170095
Formula: C5H5ClN2
MW: 128.56
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.56
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass128.0141259
Monoisotopic Mass128.0141259
Topological Polar Surface Area25.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity76.8
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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