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2D Structure
Also known as: 1270294-05-7, 859-874-4, (r)-5,7-difluorochroman-4-ol, Mfcd09763634, (4r)-5,7-difluoro-3,4-dihydro-2h-chromen-4-ol, 2h-1-benzopyran-4-ol, 5,7-difluoro-3,4-dihydro-, (4r)-
Molecular Formula
C9H8F2O2
Molecular Weight
186.15  g/mol
InChI Key
HGTYMLFMXKYIQW-SSDOTTSWSA-N
FDA UNII
97QBF4SD38

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4R)-5,7-difluoro-3,4-dihydro-2H-chromen-4-ol
2.1.2 InChI
InChI=1S/C9H8F2O2/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4,7,12H,1-2H2/t7-/m1/s1
2.1.3 InChI Key
HGTYMLFMXKYIQW-SSDOTTSWSA-N
2.2 Other Identifiers
2.2.1 UNII
97QBF4SD38
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (none)

2.3.2 Depositor-Supplied Synonyms

1. 1270294-05-7

2. 859-874-4

3. (r)-5,7-difluorochroman-4-ol

4. Mfcd09763634

5. (4r)-5,7-difluoro-3,4-dihydro-2h-chromen-4-ol

6. 2h-1-benzopyran-4-ol, 5,7-difluoro-3,4-dihydro-, (4r)-

7. Tegoprazan Impurity 8

8. Tegoprazan Impurity 11

9. 97qbf4sd38

10. Schembl28575567

11. Schembl29846494

12. Ex-a4598

13. Akos017518260

14. R-5,7-difluorobenzo Dihydropyran-4-ol

15. Ac-30642

16. As-84766

17. Sy265108

18. Db-131189

19. Cs-0131790

20. D96701

21. En300-5063018

22. 2h-?1-?benzopyran-?4-?ol, 5,?7-?difluoro-?3,?4-?dihydro-?, (4r)?-

2.4 Create Date
2010-03-29
3 Chemical and Physical Properties
Molecular Weight 186.15 g/mol
Molecular Formula C9H8F2O2
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area29.5
Heavy Atom Count13
Formal Charge0
Complexity188
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1