2-Bromo-5-ethylbenzoic Acid - CAS 105459-30-1
Catalog: |
BB001653 |
Product Name: |
2-Bromo-5-ethylbenzoic Acid |
CAS: |
105459-30-1 |
Synonyms: |
2-bromo-5-ethylbenzoic acid; 2-bromo-5-ethylbenzoic acid |
IUPAC Name: | 2-bromo-5-ethylbenzoic acid |
Description: | 2-Bromo-5-ethylbenzoic Acid (CAS# 105459-30-1) is a useful research chemical compound. |
Molecular Weight: | 229.07 |
Molecular Formula: | C9H9BrO2 |
Canonical SMILES: | CCC1=CC(=C(C=C1)Br)C(=O)O |
InChI: | InChI=1S/C9H9BrO2/c1-2-6-3-4-8(10)7(5-6)9(11)12/h3-5H,2H2,1H3,(H,11,12) |
InChI Key: | APZKAKQIWDKNNH-UHFFFAOYSA-N |
LogP: | 2.70970 |
Publication Number | Title | Priority Date |
CN-109293586-A | A method of halogen benzoic acid synthesizes quinazolinones under microwave condition in ammonium hydroxide | 20181122 |
WO-2012140596-A1 | Glycoside derivatives and uses thereof | 20110414 |
WO-2012140597-A1 | Glycoside derivatives and their uses for the treatment of diabetes | 20110414 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.97859 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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