2-(tert-Butyl)-4-nitrophenol - CAS 6683-81-4
Catalog: |
BB070882 |
Product Name: |
2-(tert-Butyl)-4-nitrophenol |
CAS: |
6683-81-4 |
Synonyms: |
2-(tert-butyl)-4-nitrophenol; 2-tert-butyl-4-nitrophenol; Phenol, 2-(1,1-dimethylethyl)-4-nitro; 2-(t-Butyl)-4-nitrophenol |
IUPAC Name: | 2-tert-butyl-4-nitrophenol |
Description: | 2-(tert-Butyl)-4-nitrophenol (cas# 6683-81-4) is a useful research chemical. |
Molecular Weight: | 195.22 |
Molecular Formula: | C10H13NO3 |
Canonical SMILES: | CC(C)(C)C1=C(C=CC(=C1)[N+](=O)[O-])O |
InChI: | InChI=1S/C10H13NO3/c1-10(2,3)8-6-7(11(13)14)4-5-9(8)12/h4-6,12H,1-3H3 |
InChI Key: | WPLSSAJHDAQNCO-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
Appearance: | Very Dark Brown Solid |
Storage: | 4°C, Inert atmosphere |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.08954328 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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