o-Di-tert-butylbenzene - CAS 1012-76-6
Catalog: |
BB066337 |
Product Name: |
o-Di-tert-butylbenzene |
CAS: |
1012-76-6 |
Synonyms: |
1,2-Di-tert-butylbenzene; 1,2-Bis(1,1-dimethylethyl)benzene; o-Di-tert-butyl-Benzene |
IUPAC Name: | 1,2-ditert-butylbenzene |
Description: | o-Di-tert-butylbenzene is a useful building block in organic synthesis. |
Molecular Weight: | 190.32 |
Molecular Formula: | C14H22 |
Canonical SMILES: | CC(C)(C)C1=CC=CC=C1C(C)(C)C |
InChI: | InChI=1S/C14H22/c1-13(2,3)11-9-7-8-10-12(11)14(4,5)6/h7-10H,1-6H3 |
InChI Key: | SZURZHQMGVKJLV-UHFFFAOYSA-N |
References: | Kuenzer, H., et al. J.Org.Chem., 50, 3222-3 (1985). |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.172150702 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.172150702 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 0Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.3 |
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