ethyl (1S,3R,4S)-rel-3-fluoro-4-hydroxycyclohexane-1-carboxylate - CAS 1228360-12-0
Catalog: |
BB005531 |
Product Name: |
ethyl (1S,3R,4S)-rel-3-fluoro-4-hydroxycyclohexane-1-carboxylate |
CAS: |
1228360-12-0 |
Synonyms: |
3-fluoro-4-hydroxy-1-cyclohexanecarboxylic acid ethyl ester; ethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate |
IUPAC Name: | ethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate |
Description: | ethyl (1S,3R,4S)-rel-3-fluoro-4-hydroxycyclohexane-1-carboxylate (CAS# 1228360-12-0 ) is a useful research chemical. |
Molecular Weight: | 190.214 |
Molecular Formula: | C9H15FO3 |
Canonical SMILES: | CCOC(=O)C1CCC(C(C1)F)O |
InChI: | InChI=1S/C9H15FO3/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h6-8,11H,2-5H2,1H3 |
InChI Key: | ZPJBXIBMCBUPIT-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
WO-2015066188-A1 | Aminoheteroaryl benzamides as kinase inhibitors | 20131101 |
WO-2015004458-A2 | Novel methods and compounds | 20130709 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.1005225 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.1005225 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 3 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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