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2-Bromo-5-hydroxypyrazine

CAT: 0127-OR01486-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR01486-01Size:100 mg
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CAS Number
374063-92-0
Synonyms
5-Bromopyrazin-2-ol, 2-Bromo-5-hydroxy-1,4-diazine
MDL Number
MFCD06245330
Purity
=95%
Smiles
Oc1cnc(Br)cn1

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...
View on PubChemRaw 3D data
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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