Ethyl 2-(4-Bromophenyl)butyrate - CAS 943742-86-7
Catalog: |
BB041282 |
Product Name: |
Ethyl 2-(4-Bromophenyl)butyrate |
CAS: |
943742-86-7 |
Synonyms: |
2-(4-bromophenyl)butanoic acid ethyl ester; ethyl 2-(4-bromophenyl)butanoate |
IUPAC Name: | ethyl 2-(4-bromophenyl)butanoate |
Description: | Ethyl 2-(4-Bromophenyl)butyrate (CAS# 943742-86-7 ) is a useful research chemical. |
Molecular Weight: | 271.15 |
Molecular Formula: | C12H15BrO2 |
Canonical SMILES: | CCC(C1=CC=C(C=C1)Br)C(=O)OCC |
InChI: | InChI=1S/C12H15BrO2/c1-3-11(12(14)15-4-2)9-5-7-10(13)8-6-9/h5-8,11H,3-4H2,1-2H3 |
InChI Key: | KHXAGVUSSBZVJS-UHFFFAOYSA-N |
Boiling Point: | 313.0±17.0 °C (760 mmHg) |
Density: | 1.299±0.06 g/cm3 (20 °C, 760 mmH g) |
LogP: | 3.50580 |
Publication Number | Title | Priority Date |
EP-3481816-B1 | Lactam, cyclic urea and carbamate, and triazolone derivatives as potent and selective rock inhibitors | 20160707 |
EP-2483252-A2 | Compounds as lysophosphatidic acid receptor antagonists | 20091001 |
EP-2483252-B1 | Compounds as lysophosphatidic acid receptor antagonists | 20091001 |
JP-2013506694-A | Compounds as lysophosphatidic acid receptor antagonists | 20091001 |
US-2012289522-A1 | Compounds as lysophosphatidic acid receptor antagonists | 20091001 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.02554 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.02554 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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