Ethyl 2-Bromo-6-fluorobenzoate - CAS 1214362-62-5
Catalog: |
BB005155 |
Product Name: |
Ethyl 2-Bromo-6-fluorobenzoate |
CAS: |
1214362-62-5 |
Synonyms: |
2-bromo-6-fluorobenzoic acid ethyl ester; ethyl 2-bromo-6-fluorobenzoate |
IUPAC Name: | ethyl 2-bromo-6-fluorobenzoate |
Description: | Ethyl 2-Bromo-6-fluorobenzoate (CAS# 1214362-62-5) is a useful research chemical. |
Molecular Weight: | 247.06 |
Molecular Formula: | C9H8BrFO2 |
Canonical SMILES: | CCOC(=O)C1=C(C=CC=C1Br)F |
InChI: | InChI=1S/C9H8BrFO2/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3 |
InChI Key: | OEFDOVREWMJGGR-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.76490 |
Publication Number | Title | Priority Date |
WO-2020243027-A1 | Compounds, compositions, and methods of use | 20190524 |
AU-2012277802-A1 | Novel inhibitor compounds of phosphodiesterase type 10A | 20110630 |
CA-2839655-A1 | Novel inhibitor compounds of phosphodiesterase type 10a | 20110630 |
EP-2726479-A1 | Novel inhibitor compounds of phosphodiesterase type 10a | 20110630 |
KR-20140050028-A | Novel Inhibitor Compounds of Phosphodiesterase Type 10A | 20110630 |
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 |
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