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116855-03-9 | 1H-Pyrazolo[3,4-b]pyridine, 3-bromo-1-methyl-
CAS No: 116855-03-9 Catalog No: AG000DBH MDL No:MFCD11878034
Product Description
Catalog Number:
AG000DBH
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine, 3-bromo-1-methyl-
CAS Number:
116855-03-9
Molecular Formula:
C7H6BrN3
Molecular Weight:
212.0466
MDL Number:
MFCD11878034
IUPAC Name:
3-bromo-1-methylpyrazolo[3,4-b]pyridine
InChI:
InChI=1S/C7H6BrN3/c1-11-7-5(6(8)10-11)3-2-4-9-7/h2-4H,1H3
InChI Key:
BVDWIHGOGVWCCJ-UHFFFAOYSA-N
SMILES:
Cn1nc(c2c1nccc2)Br
NSC Number:
127451
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.975g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.05g/mol
Monoisotopic Mass:
210.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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