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56423-63-3 | 2-Bromopyrazine
CAS No: 56423-63-3 Catalog No: AG00336X MDL No:MFCD08275680
Product Description
Catalog Number:
AG00336X
Chemical Name:
2-Bromopyrazine
CAS Number:
56423-63-3
Molecular Formula:
C4H3BrN2
Molecular Weight:
158.9840
MDL Number:
MFCD08275680
IUPAC Name:
2-bromopyrazine
InChI:
InChI=1S/C4H3BrN2/c5-4-3-6-1-2-7-4/h1-3H
InChI Key:
WGFCNCNTGOFBBF-UHFFFAOYSA-N
SMILES:
Brc1cnccn1
Properties
Complexity:
57.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.948g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.986g/mol
Monoisotopic Mass:
157.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization. | Journal of medicinal chemistry 20101111 |
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