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Also known as: 915095-84-0, U6vk5xr83j, (s)-(5-bromo-2-chlorophenyl)(4-(tetrahydrofuran-3-yloxy)phenyl)methanone, Schembl2864061, (5-bromo-2-chlorophenyl)-(4-((3s)-oxolan-3-yl)oxyphenyl)methanone, Methanone, (5-bromo-2-chlorophenyl)(4-(((3s)-tetrahydro-3-furanyl)oxy)phenyl)-
Molecular Formula
C17H14BrClO3
Molecular Weight
381.6  g/mol
InChI Key
DGMVPGOZCCHBQI-AWEZNQCLSA-N
FDA UNII
U6VK5XR83J

CAS 915095-84-0
1 2D Structure

CAS 915095-84-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(5-bromo-2-chlorophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone
2.1.2 InChI
InChI=1S/C17H14BrClO3/c18-12-3-6-16(19)15(9-12)17(20)11-1-4-13(5-2-11)22-14-7-8-21-10-14/h1-6,9,14H,7-8,10H2/t14-/m0/s1
2.1.3 InChI Key
DGMVPGOZCCHBQI-AWEZNQCLSA-N
2.1.4 Canonical SMILES
C1COCC1OC2=CC=C(C=C2)C(=O)C3=C(C=CC(=C3)Br)Cl
2.1.5 Isomeric SMILES
C1COC[C@H]1OC2=CC=C(C=C2)C(=O)C3=C(C=CC(=C3)Br)Cl
2.2 Other Identifiers
2.2.1 UNII
U6VK5XR83J
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 915095-84-0

2. U6vk5xr83j

3. (s)-(5-bromo-2-chlorophenyl)(4-(tetrahydrofuran-3-yloxy)phenyl)methanone

4. Schembl2864061

5. (5-bromo-2-chlorophenyl)-(4-((3s)-oxolan-3-yl)oxyphenyl)methanone

6. Methanone, (5-bromo-2-chlorophenyl)(4-(((3s)-tetrahydro-3-furanyl)oxy)phenyl)-

7. Unii-u6vk5xr83j

8. Empagliflozin 5-bromo Keto Analog

9. Ac-29162

10. Ak144267

11. Db-092433

12. Cs-0166100

13. F75628

14. (5-bromo-2-chlorophenyl)(4-(((3s)-tetrahydro-3-furanyl)oxy)phenyl)methanone

15. (s)-(5-bromo-2-chlorophenyl)(4-((tetrahydrofuran-3-yl)oxy)phenyl)methanone? (empagliflozin Impurity

2.4 Create Date
2012-08-20
3 Chemical and Physical Properties
Molecular Weight 381.6 g/mol
Molecular Formula C17H14BrClO3
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass379.98148 g/mol
Monoisotopic Mass379.98148 g/mol
Topological Polar Surface Area35.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity384
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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