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261363-79-5 | 1H-Pyrrolo[3,4-c]pyridine-1,3(2H)-dione, 4-chloro-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-
CAS No: 261363-79-5 Catalog No: AG002RTN MDL No:
Product Description
Catalog Number:
AG002RTN
Chemical Name:
1H-Pyrrolo[3,4-c]pyridine-1,3(2H)-dione, 4-chloro-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-
CAS Number:
261363-79-5
Molecular Formula:
C16H10ClF3N2O2
Molecular Weight:
354.7110
IUPAC Name:
4-chloro-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione
InChI:
InChI=1S/C16H10ClF3N2O2/c1-8-5-11-12(13(17)21-8)15(24)22(14(11)23)7-9-3-2-4-10(6-9)16(18,19)20/h2-6H,7H2,1H3
InChI Key:
LOJPEPCJNIVCKK-UHFFFAOYSA-N
SMILES:
Cc1nc(Cl)c2c(c1)C(=O)N(C2=O)Cc1cccc(c1)C(F)(F)F
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.038g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.713g/mol
Monoisotopic Mass:
354.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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