2,6-di-tert-butyl-4-nitrophenol

2,6-di-tert-butyl-4-nitrophenol

CAS: 728-40-5

Formula: C14H21NO3

SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[N+]([O-])=O

IUPAC: 2,6-di-tert-butyl-4-nitrophenol

InChI: InChI=1S/C14H21NO3/c1-13(2,3)10-7-9(15(17)18)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3

Composition: C (66.91%), H (8.42%), N (5.57%), O (19.10%)

Molar Mass: 251.326

Atom Count: 39

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	251.15214354
Formal Charge	0
FSP3	0.57
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FCGKUUOTWLWJHE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.69
Topological Polar Surface Area	63.37
Polarizability	27.37
Ring Count	1
Rotatable Bond Count	3

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