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5-bromo-2-tert-butyl-3-hydroxy-3H-isoindol-1-one

5-bromo-2-tert-butyl-3-hydroxy-3H-isoindol-1-one

CAS: 1245563-22-7

Formula: C12H14BrNO2

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

IUPAC: 5-bromo-2-tert-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one

InChI: InChI=1/C12H14BrNO2/c1-12(2,3)14-10(15)8-5-4-7(13)6-9(8)11(14)16/h4-6,11,16H,1-3H3

Composition: C (50.72%), H (4.97%), Br (28.12%), N (4.93%), O (11.26%)

Molar Mass: 284.153

Atom Count: 30

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 283.020792
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey VAUUWFDGCFIPDZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.94
Topological Polar Surface Area 40.54
Polarizability 25.09
Ring Count 2
Rotatable Bond Count 1

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