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130946-61-1 | Indeno[1,2-c]pyrazole, 1,4-dihydro-3-methyl-1-(4-methyl-2-quinolinyl)-
CAS No: 130946-61-1 Catalog No: AG000V4T MDL No:
Product Description
Catalog Number:
AG000V4T
Chemical Name:
Indeno[1,2-c]pyrazole, 1,4-dihydro-3-methyl-1-(4-methyl-2-quinolinyl)-
CAS Number:
130946-61-1
Molecular Formula:
C21H17N3
Molecular Weight:
311.3798
IUPAC Name:
3-methyl-1-(4-methylquinolin-2-yl)-4H-indeno[1,2-c]pyrazole
InChI:
InChI=1S/C21H17N3/c1-13-11-20(22-19-10-6-5-8-16(13)19)24-21-17-9-4-3-7-15(17)12-18(21)14(2)23-24/h3-11H,12H2,1-2H3
InChI Key:
VOLSRXVQGQSSIL-UHFFFAOYSA-N
SMILES:
Cc1nn(c2c1Cc1c2cccc1)c1cc(C)c2c(n1)cccc2
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.388g/mol
Monoisotopic Mass:
311.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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