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81933-74-6 | 1H-Pyrazolo[3,4-b]pyridine-5-carboxaldehyde, 6-chloro-1-phenyl-
CAS No: 81933-74-6 Catalog No: AG004ZU5 MDL No:
Product Description
Catalog Number:
AG004ZU5
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-5-carboxaldehyde, 6-chloro-1-phenyl-
CAS Number:
81933-74-6
Molecular Formula:
C13H8ClN3O
Molecular Weight:
257.6751
IUPAC Name:
6-chloro-1-phenylpyrazolo[3,4-b]pyridine-5-carbaldehyde
InChI:
InChI=1S/C13H8ClN3O/c14-12-10(8-18)6-9-7-15-17(13(9)16-12)11-4-2-1-3-5-11/h1-8H
InChI Key:
YYDNKVOQIVUTNY-UHFFFAOYSA-N
SMILES:
O=Cc1cc2cnn(c2nc1Cl)c1ccccc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.677g/mol
Monoisotopic Mass:
257.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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