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Home > Fluorides > 1242336-58-8
1242336-58-8 | 1H-Isoindol-1-one, 2-(1,1-dimethylethyl)-2,3-dihydro-3-hydroxy-4-(trifluoromethyl)-
CAS No: 1242336-58-8 Catalog No: AG000LQI MDL No:MFCD17015810
Product Description
Catalog Number:
AG000LQI
Chemical Name:
1H-Isoindol-1-one, 2-(1,1-dimethylethyl)-2,3-dihydro-3-hydroxy-4-(trifluoromethyl)-
CAS Number:
1242336-58-8
Molecular Formula:
C13H14F3NO2
Molecular Weight:
273.2510
MDL Number:
MFCD17015810
IUPAC Name:
2-tert-butyl-3-hydroxy-4-(trifluoromethyl)-3H-isoindol-1-one
InChI:
InChI=1S/C13H14F3NO2/c1-12(2,3)17-10(18)7-5-4-6-8(13(14,15)16)9(7)11(17)19/h4-6,11,19H,1-3H3
InChI Key:
QBZSZZYWZDKTGX-UHFFFAOYSA-N
SMILES:
OC1c2c(C(=O)N1C(C)(C)C)cccc2C(F)(F)F
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.255g/mol
Monoisotopic Mass:
273.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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