2-tert-butyl-3-hydroxy-5-(trifluoromethyl)-3H-isoindol-1-one

2-tert-butyl-3-hydroxy-5-(trifluoromethyl)-3H-isoindol-1-one

CAS: 1242336-73-7

Formula: C13H14F3NO2

SMILES: CC(C)(C)N1C(O)C2=C(C=CC(=C2)C(F)(F)F)C1=O

IUPAC: 2-tert-butyl-3-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one

InChI: InChI=1/C13H14F3NO2/c1-12(2,3)17-10(18)8-5-4-7(13(14,15)16)6-9(8)11(17)19/h4-6,11,19H,1-3H3

Composition: C (57.14%), H (5.16%), F (20.86%), N (5.13%), O (11.71%)

Molar Mass: 273.255

Atom Count: 33

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	273.097663184
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YXAHLDWXVSCZAL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.29
Topological Polar Surface Area	40.54
Polarizability	23.45
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	1242336-73-7		$194.48-$1,379.13$194.48$444.13$1,379.13