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4-Bromopyrazolo[1,5-a]pyrazine

CAT: 0926-WZB55249-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-WZB55249-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246552-49-7
MDL Number
MFCD18452165
Smiles
C1=CN2C (=CC=N2) C (=N1) Br
Molecular Formula
C6H4BrN3
Molecular Weight
198.02 g/mol
Controlled
No

Chemical Information

4-Bromopyrazolo[1,5-a]pyrazine
CAS Number1246552-49-7
PubChem CID55273440
IUPAC Name4-bromopyrazolo[1,5-a]pyrazine
Molecular FormulaC6H4BrN3
Molecular Weight198.02
XLogP1
Topological Polar Surface Area30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity130
SMILES
C1=CN2C(=CC=N2)C(=N1)Br
InChI
InChI=1S/C6H4BrN3/c7-6-5-1-2-9-10(5)4-3-8-6/h1-4H
InChIKey
VLNBPLSGORMPBW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromopyrazolo[1,5-a]pyrazine
CAS: 1246552-49-7
CID: 55273440
Formula: C6H4BrN3
MW: 198.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.02
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass196.95886
Monoisotopic Mass196.95886
Topological Polar Surface Area30.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity130
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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