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2-Chloropyrazine

CAT: 0013-GTR19163188-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19163188-01Size:1 g
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Description
2-Chloropyrazine is used in chemical industry.
CAS Number
14508-49-7
Purity
>98% (HPLC)
Solubility
DMSO: 10 mM
Smiles
ClC1=NC=CN=C1
Molecular Formula
C4H3ClN2
Molecular Weight
114.53
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Chloropyrazine

2-chloropyrazine is a member of pyrazines.

CAS Number14508-49-7
PubChem CID73277
IUPAC Name2-chloropyrazine
Molecular FormulaC4H3ClN2
Molecular Weight114.53
XLogP0.7
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity57
SMILES
C1=CN=C(C=N1)Cl
InChI
InChI=1S/C4H3ClN2/c5-4-3-6-1-2-7-4/h1-3H
InChIKey
GELVZYOEQVJIRR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chloropyrazine
CAS: 14508-49-7
CID: 73277
Formula: C4H3ClN2
MW: 114.53
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.53
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass113.9984758
Monoisotopic Mass113.9984758
Topological Polar Surface Area25.8 Ų
Heavy Atom Count7
Formal Charge0
Complexity57.7
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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