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89522-21-4 | 1H-Pyrazolo[3,4-b]quinoline, 3-phenyl-
CAS No: 89522-21-4 Catalog No: AG003ZUG MDL No:
Product Description
Catalog Number:
AG003ZUG
Chemical Name:
1H-Pyrazolo[3,4-b]quinoline, 3-phenyl-
CAS Number:
89522-21-4
Molecular Formula:
C16H11N3
Molecular Weight:
245.2786
IUPAC Name:
3-phenyl-2H-pyrazolo[3,4-b]quinoline
InChI:
InChI=1S/C16H11N3/c1-2-6-11(7-3-1)15-13-10-12-8-4-5-9-14(12)17-16(13)19-18-15/h1-10H,(H,17,18,19)
InChI Key:
CKRYCYYFAPBCMK-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1n[nH]c2c1cc1ccccc1n2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.285g/mol
Monoisotopic Mass:
245.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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