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

C₁₄H₂₁NO₃CAS 728-40-5251.33 g/mol

Open in Covalent MOL file

Alcohol Nitro Tertiary Amine

Properties

Molecular formula: C₁₄H₂₁NO₃
Molar mass: 251.33 g/mol
Exact mass: 251.1521 Da
Melting point: 157.5 °C (decomposes)
logP: 3.90Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

728-40-5

SMILES

CC(C)(C)c1cc([N+](=O)[O-])cc(C(C)(C)C)c1O

InChIKey

FCGKUUOTWLWJHE-UHFFFAOYSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

Phenol, 2,6-bis(1,1-dimethylethyl)-4-nitro-
Phenol, 2,6-di-tert-butyl-4-nitro-
2,6-Bis(1,1-dimethylethyl)-4-nitrophenol
BAY 28589
Bayer 28589
4-Nitro-2,6-di-tert-butylphenol
4-Nitro-2,6-bis-(1,1-dimethylethyl)phenol
NSC 81682
2,6-Ditert-butyl-4-nitrophenol

Work with 2,6-Di-tert-butyl-4-nitrophenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

1-(2-Nitrophenoxy)octane37682-29-4

Elsewhere

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