3-(tert-Butyl)benzoyl Chloride - CAS 21900-36-7
Catalog: |
BB017191 |
Product Name: |
3-(tert-Butyl)benzoyl Chloride |
CAS: |
21900-36-7 |
Synonyms: |
3-tert-butylbenzoyl chloride; 3-tert-butylbenzoyl chloride |
IUPAC Name: | 3-tert-butylbenzoyl chloride |
Description: | 3-(tert-Butyl)benzoyl Chloride (CAS# 21900-36-7 ) is a useful research chemical. |
Molecular Weight: | 196.67 |
Molecular Formula: | C11H13ClO |
Canonical SMILES: | CC(C)(C)C1=CC=CC(=C1)C(=O)Cl |
InChI: | InChI=1S/C11H13ClO/c1-11(2,3)9-6-4-5-8(7-9)10(12)13/h4-7H,1-3H3 |
InChI Key: | GYLMOVQXUVCWLK-UHFFFAOYSA-N |
MDL: | MFCD08448299 |
LogP: | 3.36310 |
Publication Number | Title | Priority Date |
EP-2955174-A1 | Derivative of homoserine lactone, and preparation method and use thereof | 20130208 |
EP-2955174-B1 | Derivative of homoserine lactone, and preparation method and use thereof | 20130208 |
JP-2016509004-A | Derivatives of homoserine lactone and their preparation and use | 20130208 |
JP-6301369-B2 | Derivatives of homoserine lactone and their preparation and use | 20130208 |
US-2015368217-A1 | Derivative of Homoserine Lactone, and Preparation Method and Use Thereof | 20130208 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.0654927 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.0654927 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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