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137695-83-1 | 2H-Pyrazolo[4,3-c]isoquinolin-3-ol, 2-(4-chlorophenyl)-
CAS No: 137695-83-1 Catalog No: AG0013QG MDL No:
Product Description
Catalog Number:
AG0013QG
Chemical Name:
2H-Pyrazolo[4,3-c]isoquinolin-3-ol, 2-(4-chlorophenyl)-
CAS Number:
137695-83-1
Molecular Formula:
C16H10ClN3O
Molecular Weight:
295.7231
IUPAC Name:
2-(4-chlorophenyl)-1H-pyrazolo[4,3-c]isoquinolin-3-one
InChI:
InChI=1S/C16H10ClN3O/c17-11-5-7-12(8-6-11)20-16(21)15-14(19-20)13-4-2-1-3-10(13)9-18-15/h1-9,19H
InChI Key:
AUFHUXSDQUEVRT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1nc2c(c1O)ncc1c2cccc1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.726g/mol
Monoisotopic Mass:
295.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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