Ethyl 2-(2-Bromoethyl)benzoate - CAS 179994-91-3
Catalog: |
BB013631 |
Product Name: |
Ethyl 2-(2-Bromoethyl)benzoate |
CAS: |
179994-91-3 |
Synonyms: |
2-(2-bromoethyl)benzoic acid ethyl ester; ethyl 2-(2-bromoethyl)benzoate |
IUPAC Name: | ethyl 2-(2-bromoethyl)benzoate |
Description: | Ethyl 2-(2-Bromoethyl)benzoate (CAS# 179994-91-3) is a useful research chemical. |
Molecular Weight: | 257.12 |
Molecular Formula: | C11H13BrO2 |
Canonical SMILES: | CCOC(=O)C1=CC=CC=C1CCBr |
InChI: | InChI=1S/C11H13BrO2/c1-2-14-11(13)10-6-4-3-5-9(10)7-8-12/h3-6H,2,7-8H2,1H3 |
InChI Key: | ABAWHAYBJQQBGA-UHFFFAOYSA-N |
LogP: | 2.80070 |
Publication Number | Title | Priority Date |
TW-201713617-A | Modulators of cystic fibrosis transmembrane conductance regulator | 20151006 |
AU-2015328174-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | 20141006 |
AU-2015328174-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | 20141006 |
EP-3203840-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | 20141006 |
JP-2017530167-A | Modulator of cystic fibrosis transmembrane conductance regulator | 20141006 |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.00989 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.00989 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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