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3,6-Dichloropyrazin-2-amine

CAT: 0127-OR73886-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR73886-01Size:250 mg
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CAS Number
14399-37-2
MDL Number
MFCD14581977
Purity
98%
Smiles
NC1=NC(Cl)=CN=C1Cl

Chemical Information

3,6-Dichloropyrazin-2-amine
CAS Number14399-37-2
PubChem CID13341111
IUPAC Name3,6-dichloropyrazin-2-amine
Molecular FormulaC4H3Cl2N3
Molecular Weight163.99
XLogP1.4
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity99
SMILES
C1=C(N=C(C(=N1)Cl)N)Cl
InChI
InChI=1S/C4H3Cl2N3/c5-2-1-8-3(6)4(7)9-2/h1H,(H2,7,9)
InChIKey
CJXBBQKTUJXSGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,6-Dichloropyrazin-2-amine
CAS: 14399-37-2
CID: 13341111
Formula: C4H3Cl2N3
MW: 163.99
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight163.99
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass162.9704025
Monoisotopic Mass162.9704025
Topological Polar Surface Area51.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity99.8
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