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130946-69-9 | Indeno[1,2-c]pyrazole, 1-(6-chloro-4-methyl-2-quinolinyl)-1,4-dihydro-3-methyl-
CAS No: 130946-69-9 Catalog No: AG000V5O MDL No:
Product Description
Catalog Number:
AG000V5O
Chemical Name:
Indeno[1,2-c]pyrazole, 1-(6-chloro-4-methyl-2-quinolinyl)-1,4-dihydro-3-methyl-
CAS Number:
130946-69-9
Molecular Formula:
C21H16ClN3
Molecular Weight:
345.8248
IUPAC Name:
1-(6-chloro-4-methylquinolin-2-yl)-3-methyl-4H-indeno[1,2-c]pyrazole
InChI:
InChI=1S/C21H16ClN3/c1-12-9-20(23-19-8-7-15(22)11-17(12)19)25-21-16-6-4-3-5-14(16)10-18(21)13(2)24-25/h3-9,11H,10H2,1-2H3
InChI Key:
GVVDTDZLFNCWFD-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(C)cc(n2)n1nc(c2c1c1ccccc1C2)C
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.103g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.83g/mol
Monoisotopic Mass:
345.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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