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CHEMISTRY

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Chemistry

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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

CAS 1270294-05-7

1 2D Structure

CAS 1270294-05-7

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 Formula	C₉H₈F₂O₂
Molecular Weight	186.15 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	29.5
Heavy Atom Count	13
Formal Charge	0
Complexity	188
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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