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2-Bromo-3-phenylpyrazine

CAT: 0926-CAA88217-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-CAA88217-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2882-17-9
MDL Number
MFCD18447738
Smiles
C1=CC=C (C=C1) C2=NC=CN=C2Br
Molecular Formula
C10H7BrN2
Molecular Weight
235.08 g/mol
Controlled
No

Chemical Information

2-Bromo-3-phenylpyrazine
CAS Number2882-17-9
PubChem CID11118004
IUPAC Name2-bromo-3-phenylpyrazine
Molecular FormulaC10H7BrN2
Molecular Weight235.08
XLogP2.5
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity157
SMILES
C1=CC=C(C=C1)C2=NC=CN=C2Br
InChI
InChI=1S/C10H7BrN2/c11-10-9(12-6-7-13-10)8-4-2-1-3-5-8/h1-7H
InChIKey
LYLYXRRWHBFUJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-3-phenylpyrazine
CAS: 2882-17-9
CID: 11118004
Formula: C10H7BrN2
MW: 235.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.08
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass233.97926
Monoisotopic Mass233.97926
Topological Polar Surface Area25.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity157
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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