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Home > Fluorides > 908111-34-2
908111-34-2 | 6,6-Dimethyl-3-(trifluoromethyl)-6,7-dihydro-1H-indazol-4(5H)-one
CAS No: 908111-34-2 Catalog No: AG003N0N MDL No:MFCD08692484
Product Description
Catalog Number:
AG003N0N
Chemical Name:
6,6-Dimethyl-3-(trifluoromethyl)-6,7-dihydro-1H-indazol-4(5H)-one
CAS Number:
908111-34-2
Molecular Formula:
C10H11F3N2O
Molecular Weight:
232.2023
MDL Number:
MFCD08692484
IUPAC Name:
6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-1H-indazol-4-one
InChI:
InChI=1S/C10H11F3N2O/c1-9(2)3-5-7(6(16)4-9)8(15-14-5)10(11,12)13/h3-4H2,1-2H3,(H,14,15)
InChI Key:
OFQAFLDKWBQAJI-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)Cc2c1c(n[nH]2)C(F)(F)F
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.206g/mol
Monoisotopic Mass:
232.082g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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