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2-Chloro-5-fluoropyrazine

CAT: 0926-JNB01905-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-JNB01905-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
959019-05-7
MDL Number
MFCD09607701
Smiles
C1=C (N=CC (=N1) Cl) F
Molecular Formula
C4H2ClFN2
Molecular Weight
132.52 g/mol
Controlled
No

Chemical Information

2-Chloro-5-fluoropyrazine
CAS Number959019-05-7
PubChem CID583271
IUPAC Name2-chloro-5-fluoropyrazine
Molecular FormulaC4H2ClFN2
Molecular Weight132.52
XLogP1.1
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity80
SMILES
C1=C(N=CC(=N1)Cl)F
InChI
InChI=1S/C4H2ClFN2/c5-3-1-8-4(6)2-7-3/h1-2H
InChIKey
GQXQZXMCYFHHOO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-5-fluoropyrazine
CAS: 959019-05-7
CID: 583271
Formula: C4H2ClFN2
MW: 132.52
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.52
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass131.9890539
Monoisotopic Mass131.9890539
Topological Polar Surface Area25.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity80.4
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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