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2-Bromo-3-hydrazineylpyrazine

CAT: 0127-OR1072737-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1072737-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2167124-76-5
Purity
95%
Smiles
NNC1=NC=CN=C1Br

Chemical Information

2-Bromo-3-hydrazinylpyrazine
CAS Number2167124-76-5
PubChem CID134830489
IUPAC Name(3-bromopyrazin-2-yl)hydrazine
Molecular FormulaC4H5BrN4
Molecular Weight189.01
XLogP0.4
Topological Polar Surface Area63.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity88
SMILES
C1=CN=C(C(=N1)NN)Br
InChI
InChI=1S/C4H5BrN4/c5-3-4(9-6)8-2-1-7-3/h1-2H,6H2,(H,8,9)
InChIKey
HDIJYCSAGIRNPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-3-hydrazinylpyrazine
CAS: 2167124-76-5
CID: 134830489
Formula: C4H5BrN4
MW: 189.01
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight189.01
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass187.96976
Monoisotopic Mass187.96976
Topological Polar Surface Area63.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity88.6
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