Methyl 2-(4-Bromophenyl)butyrate - CAS 1226228-17-6
Catalog: |
BB005435 |
Product Name: |
Methyl 2-(4-Bromophenyl)butyrate |
CAS: |
1226228-17-6 |
Synonyms: |
2-(4-bromophenyl)butanoic acid methyl ester; methyl 2-(4-bromophenyl)butanoate |
IUPAC Name: | methyl 2-(4-bromophenyl)butanoate |
Description: | Methyl 2-(4-Bromophenyl)butyrate (CAS# 1226228-17-6 ) is a useful research chemical. |
Molecular Weight: | 257.12 |
Molecular Formula: | C11H13BrO2 |
Canonical SMILES: | CCC(C1=CC=C(C=C1)Br)C(=O)OC |
InChI: | InChI=1S/C11H13BrO2/c1-3-10(11(13)14-2)8-4-6-9(12)7-5-8/h4-7,10H,3H2,1-2H3 |
InChI Key: | GWQJIGZBUABKCY-UHFFFAOYSA-N |
LogP: | 3.11570 |
Publication Number | Title | Priority Date |
EP-2794568-B1 | Substituted 4-cyano-3-phenyl-4-(pyridin-3-yl) butanoates, processes for their preparation and their use as herbicides and plant growth regulators | 20111219 |
Complexity: | 186 |
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: | 4 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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