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2- (1-Chloroethyl) pyrazine

CAT: 0926-PBC38651-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-PBC38651-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1289386-51-1
MDL Number
MFCD18837127
Smiles
CC (C1=NC=CN=C1) Cl
Molecular Formula
C6H7ClN2
Molecular Weight
142.59 g/mol
Controlled
No

Chemical Information

2-(1-Chloroethyl)pyrazine
CAS Number1289386-51-1
PubChem CID21698315
IUPAC Name2-(1-chloroethyl)pyrazine
Molecular FormulaC6H7ClN2
Molecular Weight142.58
XLogP0.6
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity87
SMILES
CC(C1=NC=CN=C1)Cl
InChI
InChI=1S/C6H7ClN2/c1-5(7)6-4-8-2-3-9-6/h2-5H,1H3
InChIKey
ZWKXHANKOPXXJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(1-Chloroethyl)pyrazine
CAS: 1289386-51-1
CID: 21698315
Formula: C6H7ClN2
MW: 142.58
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.58
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass142.0297759
Monoisotopic Mass142.0297759
Topological Polar Surface Area25.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity87.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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