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824968-52-7 | 1H-Pyrazolo[4,3-c]isoquinoline, 8-chloro-3-methyl-5-phenyl-
CAS No: 824968-52-7 Catalog No: AG00581G MDL No:
Product Description
Catalog Number:
AG00581G
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 8-chloro-3-methyl-5-phenyl-
CAS Number:
824968-52-7
Molecular Formula:
C17H12ClN3
Molecular Weight:
293.7503
IUPAC Name:
8-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C17H12ClN3/c1-10-15-17(21-20-10)14-9-12(18)7-8-13(14)16(19-15)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,21)
InChI Key:
DAYUYWBXUUSVQH-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c1[nH]nc(c1nc2c1ccccc1)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.072g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.754g/mol
Monoisotopic Mass:
293.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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