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1242336-77-1 | 1H-Pyrazolo[3,4-b]pyrazin-3-amine, 5-bromo-
CAS No: 1242336-77-1 Catalog No: AG000LQ4 MDL No:MFCD17016134
Product Description
Catalog Number:
AG000LQ4
Chemical Name:
1H-Pyrazolo[3,4-b]pyrazin-3-amine, 5-bromo-
CAS Number:
1242336-77-1
Molecular Formula:
C5H4BrN5
Molecular Weight:
214.0228
MDL Number:
MFCD17016134
IUPAC Name:
5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine
InChI:
InChI=1S/C5H4BrN5/c6-2-1-8-5-3(9-2)4(7)10-11-5/h1H,(H3,7,8,10,11)
InChI Key:
VDDJIDGFTDEJFJ-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(n1)c(N)n[nH]2
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.965g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.026g/mol
Monoisotopic Mass:
212.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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