2-(2-Acetyl-4-bromophenoxy)acetic Acid - CAS 34849-51-9
Catalog: |
BB022330 |
Product Name: |
2-(2-Acetyl-4-bromophenoxy)acetic Acid |
CAS: |
34849-51-9 |
Synonyms: |
2-(2-acetyl-4-bromophenoxy)acetic acid; 2-(2-acetyl-4-bromophenoxy)acetic acid |
IUPAC Name: | 2-(2-acetyl-4-bromophenoxy)acetic acid |
Description: | 2-(2-Acetyl-4-bromophenoxy)acetic Acid (CAS# 34849-51-9) is a useful research chemical. |
Molecular Weight: | 273.08 |
Molecular Formula: | C10H9BrO4 |
Canonical SMILES: | CC(=O)C1=C(C=CC(=C1)Br)OCC(=O)O |
InChI: | InChI=1S/C10H9BrO4/c1-6(12)8-4-7(11)2-3-9(8)15-5-10(13)14/h2-4H,5H2,1H3,(H,13,14) |
InChI Key: | ZPKLKLLENLTZEX-UHFFFAOYSA-N |
LogP: | 2.11510 |
Publication Number | Title | Priority Date |
AU-2012223232-A1 | Heterocyclic compounds for the inhibition of PASK | 20110302 |
AU-2012223232-B2 | Heterocyclic compounds for the inhibition of PASK | 20110302 |
CA-2828349-A1 | Heterocyclic compounds for the inhibition of pask | 20110302 |
CA-2828349-C | Heterocyclic compounds for the inhibition of pask | 20110302 |
EP-2681207-A2 | Heterocyclic compounds for the inhibition of pask | 20110302 |
PMID | Publication Date | Title | Journal |
17154491 | 20061116 | Novel selective orally active CRTH2 antagonists for allergic inflammation developed from in silico derived hits | Journal of medicinal chemistry |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.96842 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.96842 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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