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CAS 793669-26-8 manufacturers and suppliers on PharmaCompass

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CAS 793669-26-8
Also known as:
Molecular Formula
C22H22F2O4
Molecular Weight
388.4  g/mol
InChI Key
KRZVGYRXIAATFD-LXXSSVHESA-N

1 2D Structure

CAS 793669-26-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene;(2R)-6-fluoro-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene
2.1.2 InChI
InChI=1S/2C11H11FO2/c2*12-8-2-4-9-7(5-8)1-3-10(14-9)11-6-13-11/h2*2,4-5,10-11H,1,3,6H2/t2*10-,11+/m10/s1
2.1.3 InChI Key
KRZVGYRXIAATFD-LXXSSVHESA-N
2.1.4 Canonical SMILES
C1CC2=C(C=CC(=C2)F)OC1C3CO3.C1CC2=C(C=CC(=C2)F)OC1C3CO3
2.1.5 Isomeric SMILES
C1CC2=C(C=CC(=C2)F)O[C@H]1[C@@H]3CO3.C1CC2=C(C=CC(=C2)F)O[C@@H]1[C@H]3CO3
2.2 Create Date
2018-05-25
3 Chemical and Physical Properties
Molecular Weight 388.4 g/mol
Molecular Formula C22H22F2O4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass388.14861550 g/mol
Monoisotopic Mass388.14861550 g/mol
Topological Polar Surface Area43.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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Nebivolol
We are a top producer of Pharmaceutical Intermediates, Specialty Chemicals, and More, with origins dating...
We are a top producer of Pharmaceutical Intermediates, Specialty Chemicals, and More, with origins dating back to 1998. Globally renowned for its Organic Compounds, Inorganic Compounds, Industrial Acids, Industrial Chemicals, Zinc Acetates, Calcium Chloride Dihydrates, Speciality Chemicals, and other products, Sagar Life Science Private Limited is a customer-centric business with a primary focus on innovations, quality, and customization. Since sustainability is among our core values, we concentrate on improving the efficiency of our processes to manufacture sustainable results.
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Nebivolol
We are a top producer of Pharmaceutical Intermediates, Specialty Chemicals, and More, with origins dating...
We are a top producer of Pharmaceutical Intermediates, Specialty Chemicals, and More, with origins dating back to 1998. Globally renowned for its Organic Compounds, Inorganic Compounds, Industrial Acids, Industrial Chemicals, Zinc Acetates, Calcium Chloride Dihydrates, Speciality Chemicals, and other products, Sagar Life Science Private Limited is a customer-centric business with a primary focus on innovations, quality, and customization. Since sustainability is among our core values, we concentrate on improving the efficiency of our processes to manufacture sustainable results.
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