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5-Acetyl-2-chloropyrazine

CAT: 0572-TRC-A172025-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A172025-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
160252-31-3
Hazard Statement
Causes skin irritation.
Smiles
CC(=O)c1cnc(Cl)cn1
Molecular Formula
C6 H5 Cl N2 O
Molecular Weight
156.57
InChI
InChI=1S/C6H5ClN2O/c1-4(10)5-2-9-6(7)3-8-5/h2-3H,1H3
Additionnal Information
IUPAC name: 1-(5-chloropyrazin-2-yl)ethanone
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1-(5-Chloropyrazin-2-yl)ethanone
CAS Number160252-31-3
PubChem CID44828689
IUPAC Name1-(5-chloropyrazin-2-yl)ethanone
Molecular FormulaC6H5ClN2O
Molecular Weight156.57
XLogP0.8
Topological Polar Surface Area42.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity140
SMILES
CC(=O)C1=CN=C(C=N1)Cl
InChI
InChI=1S/C6H5ClN2O/c1-4(10)5-2-9-6(7)3-8-5/h2-3H,1H3
InChIKey
NMMJHUZSTPHGCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(5-Chloropyrazin-2-yl)ethanone
CAS: 160252-31-3
CID: 44828689
Formula: C6H5ClN2O
MW: 156.57
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.57
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass156.0090405
Monoisotopic Mass156.0090405
Topological Polar Surface Area42.9 Ų
Heavy Atom Count10
Formal Charge0
Complexity140
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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