CAS 3282-56-2 | 1-(tert-Butyl)-4-nitrobenzene | CAS Number 3282-56-2

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3282-56-2 | 1-(tert-Butyl)-4-nitrobenzene

CAS No: 3282-56-2 Catalog No: AG003ENQ MDL No:MFCD00041253

Product Description

Catalog Number:

AG003ENQ

Chemical Name:

1-(tert-Butyl)-4-nitrobenzene

CAS Number:

3282-56-2

Molecular Formula:

C10H13NO2

Molecular Weight:

179.2157

MDL Number:

MFCD00041253

IUPAC Name:

1-tert-butyl-4-nitrobenzene

InChI:

InChI=1S/C10H13NO2/c1-10(2,3)8-4-6-9(7-5-8)11(12)13/h4-7H,1-3H3

InChI Key:

XSCPVQNNFLHGHY-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc(cc1)C(C)(C)C

EC Number:

221-922-1

NSC Number:

43040

Properties

Complexity:

182

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.219g/mol

Monoisotopic Mass:

179.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9

Literature

Title	Journal
Binding of alkylphenols and alkylated non-phenolics to the rainbow trout (Oncorhynchus mykiss) plasma sex steroid-binding protein.	Ecotoxicology and environmental safety 20070901
Estrogenic effects of environmental chemicals: an interspecies comparison.	Comparative biochemistry and physiology. Toxicology & pharmacology : CBP 20050701