Isopropyl 4-Bromobutanoate - CAS 70923-64-7
Catalog: |
BB060753 |
Product Name: |
Isopropyl 4-Bromobutanoate |
CAS: |
70923-64-7 |
Synonyms: |
4-Bromobutyric Acid Isopropyl Ester;Isopropyl 4-Bromobutyrate |
IUPAC Name: | propan-2-yl 4-bromobutanoate |
Description: | Isopropyl 4-Bromobutanoate is an intermediate for the synthesis of Bepotastine Isopropyl Ester (B317015), which is an impurity of Bepotastine, a 2nd generation antihistamine that is used to treat allergic rhinitis and urticaria/pruritus (also known as hives). |
Molecular Weight: | 209.08 |
Molecular Formula: | C7H13BrO2 |
Canonical SMILES: | CC(C)OC(=O)CCCBr |
InChI: | InChI=1S/C7H13BrO2/c1-6(2)10-7(9)4-3-5-8/h6H,3-5H2,1-2H3 |
InChI Key: | MHBIPWRIXWNMJS-UHFFFAOYSA-N |
Solubility: | Chloroform |
Appearance: | Yellow Oil |
Complexity: | 102 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.00989 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.00989 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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