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847233-58-3 | 8-Quinolinol, 5-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-
CAS No: 847233-58-3 Catalog No: AG004PDA MDL No:
Product Description
Catalog Number:
AG004PDA
Chemical Name:
8-Quinolinol, 5-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-
CAS Number:
847233-58-3
Molecular Formula:
C18H14ClN3O
Molecular Weight:
323.7763
IUPAC Name:
5-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinolin-8-ol
InChI:
InChI=1S/C18H14ClN3O/c19-12-5-3-11(4-6-12)15-10-16(22-21-15)13-7-8-17(23)18-14(13)2-1-9-20-18/h1-9,16,22-23H,10H2
InChI Key:
RNQPSXIQFRFUHA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1=NNC(C1)c1ccc(c2c1cccn2)O
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.083g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.78g/mol
Monoisotopic Mass:
323.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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