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856859-49-9 | 4-Bromo-1H-pyrazolo[3,4-b]pyridine
CAS No: 856859-49-9 Catalog No: AG0050HR MDL No:MFCD10699404
Product Description
Catalog Number:
AG0050HR
Chemical Name:
4-Bromo-1H-pyrazolo[3,4-b]pyridine
CAS Number:
856859-49-9
Molecular Formula:
C6H4BrN3
Molecular Weight:
198.0201
MDL Number:
MFCD10699404
IUPAC Name:
4-bromo-1H-pyrazolo[3,4-b]pyridine
InChI:
InChI=1S/C6H4BrN3/c7-5-1-2-8-6-4(5)3-9-10-6/h1-3H,(H,8,9,10)
InChI Key:
JVFQAGXECPOKFX-UHFFFAOYSA-N
SMILES:
Brc1ccnc2c1cn[nH]2
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.959g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.023g/mol
Monoisotopic Mass:
196.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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