Methyl 2-(3-Bromo-5-fluorophenyl)acetate - CAS 937732-38-2
Catalog: |
BB041078 |
Product Name: |
Methyl 2-(3-Bromo-5-fluorophenyl)acetate |
CAS: |
937732-38-2 |
Synonyms: |
2-(3-bromo-5-fluorophenyl)acetic acid methyl ester; methyl 2-(3-bromo-5-fluorophenyl)acetate |
IUPAC Name: | methyl 2-(3-bromo-5-fluorophenyl)acetate |
Description: | Methyl 2-(3-Bromo-5-fluorophenyl)acetate (CAS# 937732-38-2) is a useful research chemical. |
Molecular Weight: | 247.06 |
Molecular Formula: | C9H8BrFO2 |
Canonical SMILES: | COC(=O)CC1=CC(=CC(=C1)Br)F |
InChI: | InChI=1S/C9H8BrFO2/c1-13-9(12)4-6-2-7(10)5-8(11)3-6/h2-3,5H,4H2,1H3 |
InChI Key: | AJSCFDHWZUZCNE-UHFFFAOYSA-N |
LogP: | 2.30370 |
Publication Number | Title | Priority Date |
WO-2021011873-A1 | Boron-containing rho kinase inhibitors | 20190717 |
EP-3514150-A1 | Heterocyclic amide compound | 20160915 |
JP-2019196308-A | Heterocyclic amide compounds | 20160915 |
US-2019359587-A1 | Heterocyclic amide compound | 20160915 |
WO-2018052066-A1 | Heterocyclic amide compound | 20160915 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.96917 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.96917 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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