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Home Other Building Blocks 2-t-Butyl-3-hydroxy-4-trifluoromethylisoindolin-1-one

2-t-Butyl-3-hydroxy-4-trifluoromethylisoindolin-1-one

CAS No.:
1242336-58-8
Catalog Number:
AG000LQI
Molecular Formula:
C13H14F3NO2
Molecular Weight:
273.2510
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$150
- +
1g
97%
In Stock USA
United States
$275
- +
5g
97%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG000LQI
Chemical Name:
2-t-Butyl-3-hydroxy-4-trifluoromethylisoindolin-1-one
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  
Properties