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2-Bromo-5-hydroxypyrazine

CAT: 0931-TNU0824-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0824-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
374063-92-0
Target
Others
Related Pathways
Others
Bioactivity
Heterocyclic compounds - Pyrazine; Intermediate and Building Block - Electrophile
Smiles
BrC1=CNC(=O)C=N1
Molecular Formula
C4H3BrN2O
Molecular Weight
174.98
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Bromo-5-hydroxypyrazine
CAS Number374063-92-0
PubChem CID2771618
IUPAC Name5-bromo-1H-pyrazin-2-one
Molecular FormulaC4H3BrN2O
Molecular Weight174.98
XLogP0.2
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity173
SMILES
C1=C(N=CC(=O)N1)Br
InChI
InChI=1S/C4H3BrN2O/c5-3-1-7-4(8)2-6-3/h1-2H,(H,7,8)
InChIKey
ITTXBHQAWOFJAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-5-hydroxypyrazine
CAS: 374063-92-0
CID: 2771618
Formula: C4H3BrN2O
MW: 174.98
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight174.98
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass173.94288
Monoisotopic Mass173.94288
Topological Polar Surface Area41.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity173
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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