(2S, 2'R)-6-Fluoro-2-(2'-oxiranyl)chromane - CAS 197706-51-7
Catalog: |
BB065076 |
Product Name: |
(2S, 2'R)-6-Fluoro-2-(2'-oxiranyl)chromane |
CAS: |
197706-51-7 |
Synonyms: |
6-fluoro-2-(oxiran-2-yl)chroman; 6-Fluoro-3,4-dihydro-2-oxiranyl-2H-1-benzopyran; 6-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2H-chromene; 6-fluoro-2-(oxiran-2-yl)chromane; 6-FLUORO-2-(OXIRAN-2-YL)-3,4-DIHYDRO-2H-1-BENZOPYRAN; Nebivolol Impurity 4; 6-Fluoro-3,4-dihydro-2-(2-oxiranyl)-2H-1-benzopyran |
IUPAC Name: | 6-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2H-chromene |
Description: | (2S,2'R)-6-Fluoro-2-(2'-oxiranyl)chromane is an intermediate to synthesize Nebivolol (rac, HCl salt, N387900) which is a β1-Adrenergic blocker. |
Molecular Weight: | 194.2 |
Molecular Formula: | C11H11FO2 |
Canonical SMILES: | C1CC2=C(C=CC(=C2)F)OC1C3CO3 |
InChI: | InChI=1S/C11H11FO2/c12-8-2-4-9-7(5-8)1-3-10(14-9)11-6-13-11/h2,4-5,10-11H,1,3,6H2 |
InChI Key: | GVZDIJGBXSDSEP-UHFFFAOYSA-N |
GHS Hazard Statement: | H317: May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P273, P280, P302+P352, P321, P333+P313, P362+P364, P391, and P501 |
Signal Word: | Warning |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.07430775 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.07430775 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 21.8Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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