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2,5-Dichloropyrazine

CAT: 0926-FD139859-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FD139859-01Size:1 g
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CAS Number
19745-07-4
MDL Number
MFCD04117886
Smiles
C1=C (N=CC (=N1) Cl) Cl
Molecular Formula
C4H2Cl2N2
Molecular Weight
148.98 g/mol
Controlled
No

Chemical Information

2,5-Dichloropyrazine
CAS Number19745-07-4
PubChem CID336224
IUPAC Name2,5-dichloropyrazine
Molecular FormulaC4H2Cl2N2
Molecular Weight148.98
XLogP1.6
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity68
SMILES
C1=C(N=CC(=N1)Cl)Cl
InChI
InChI=1S/C4H2Cl2N2/c5-3-1-7-4(6)2-8-3/h1-2H
InChIKey
JVSDZAGCHKCSGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dichloropyrazine
CAS: 19745-07-4
CID: 336224
Formula: C4H2Cl2N2
MW: 148.98
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.98
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass147.9595035
Monoisotopic Mass147.9595035
Topological Polar Surface Area25.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity68.4
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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