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173253-42-4 | 2-Pyrazinamine, 5-bromo-6-chloro-
CAS No: 173253-42-4 Catalog No: AG001YQF MDL No:MFCD09909642
Product Description
Catalog Number:
AG001YQF
Chemical Name:
2-Pyrazinamine, 5-bromo-6-chloro-
CAS Number:
173253-42-4
Molecular Formula:
C4H3BrClN3
Molecular Weight:
208.4437
MDL Number:
MFCD09909642
IUPAC Name:
5-bromo-6-chloropyrazin-2-amine
InChI:
InChI=1S/C4H3BrClN3/c5-3-4(6)9-2(7)1-8-3/h1H,(H2,7,9)
InChI Key:
CRVPQFAORCSDMH-UHFFFAOYSA-N
SMILES:
Nc1cnc(c(n1)Cl)Br
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.92g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.443g/mol
Monoisotopic Mass:
206.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing. | Journal of medicinal chemistry 20111222 |
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