Ethyl 3-Bromo-4-fluorobenzoate - CAS 23233-33-2
Catalog: |
BB017985 |
Product Name: |
Ethyl 3-Bromo-4-fluorobenzoate |
CAS: |
23233-33-2 |
Synonyms: |
3-bromo-4-fluorobenzoic acid ethyl ester; ethyl 3-bromo-4-fluorobenzoate |
IUPAC Name: | ethyl 3-bromo-4-fluorobenzoate |
Description: | Ethyl 3-Bromo-4-fluorobenzoate (CAS# 23233-33-2) is used to prepare 2,3-diarylpyrrole inhibitors of parasite cGMP-dependent protein kinase as novel anticoccidial agents. It is also used to synthesize Aminopyrazole Inhibitors for c-Jun N-terminal Kinase 3 (JNK3) over p38. |
Molecular Weight: | 247.06 |
Molecular Formula: | C9H8BrFO2 |
Canonical SMILES: | CCOC(=O)C1=CC(=C(C=C1)F)Br |
InChI: | InChI=1S/C9H8BrFO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2H2,1H3 |
InChI Key: | FDVAAQDTTZNHKG-UHFFFAOYSA-N |
Boiling Point: | 262.6 ℃ at 760 mmHg |
Density: | 1.504 g/cm3 |
LogP: | 2.76490 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2018080314-A1 | Method of allocating individual oil or water production contributions from multiple combined sources | 20160921 |
WO-2018057219-A1 | Method of allocating individual oil or water production contributions from multiple combined sources | 20160921 |
EP-2491026-A1 | Novel heteroaryl imidazoles and heteroaryl triazoles as gamma-secretase modulators | 20091020 |
US-2012202787-A1 | Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators | 20091020 |
WO-2011048525-A1 | Novel heteroaryl imidazoles and heteroaryl triazoles as gamma-secretase modulators | 20091020 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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