Ethyl 3-Bromo-3,3-difluoropropanoate - CAS 105836-29-1
Catalog: |
BB001729 |
Product Name: |
Ethyl 3-Bromo-3,3-difluoropropanoate |
CAS: |
105836-29-1 |
Synonyms: |
3-bromo-3,3-difluoropropanoic acid ethyl ester; ethyl 3-bromo-3,3-difluoropropanoate |
IUPAC Name: | ethyl 3-bromo-3,3-difluoropropanoate |
Description: | Ethyl 3-Bromo-3,3-difluoropropanoate (CAS# 105836-29-1) is a useful research chemical. |
Molecular Weight: | 217.01 |
Molecular Formula: | C5H7BrF2O2 |
Canonical SMILES: | CCOC(=O)CC(F)(F)Br |
InChI: | InChI=1S/C5H7BrF2O2/c1-2-10-4(9)3-5(6,7)8/h2-3H2,1H3 |
InChI Key: | TUEMOTWJONNCFM-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD17480534 |
LogP: | 1.92730 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P305+P351+P338, P310, P370+P378, P403+P235, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021173523-A1 | Hot melt extruded solid dispersions containing a bcl2 inhibitor | 20200224 |
WO-2021066873-A1 | Condensed heterocycles as bcl-2 inhibitors | 20191003 |
WO-2020041406-A1 | Bcl-2 inhibitors | 20180822 |
US-2021315904-A1 | Bcl-2 inhibitors | 20180822 |
WO-2020004521-A1 | Therapeutic agent for inflammatory diseases, autoimmune diseases, fibrotic diseases, and cancer diseases | 20180627 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.95975 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.95975 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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