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1196152-90-5 | 1H-Pyrazolo[3,4-b]pyrazine, 5-bromo-
CAS No: 1196152-90-5 Catalog No: AG000PBC MDL No:
Product Description
Catalog Number:
AG000PBC
Chemical Name:
1H-Pyrazolo[3,4-b]pyrazine, 5-bromo-
CAS Number:
1196152-90-5
Molecular Formula:
C5H3BrN4
Molecular Weight:
199.0081
IUPAC Name:
5-bromo-1H-pyrazolo[3,4-b]pyrazine
InChI:
InChI=1S/C5H3BrN4/c6-4-2-7-5-3(9-4)1-8-10-5/h1-2H,(H,7,8,10)
InChI Key:
AYXGMAXAMGHBMG-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(n1)cn[nH]2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.954g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.011g/mol
Monoisotopic Mass:
197.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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