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Also known as: 156755-23-6, 6-bromo-3,4-dihydro-4-phenyl-2h-1-benzopyran-2-one, 6-bromo-4-phenyl-3,4-dihydrochromen-2-one, Ec 923-250-0, Schembl725197, 6-bromo-4-phenyl-2-chromanone
Molecular Formula
C15H11BrO2
Molecular Weight
303.15  g/mol
InChI Key
KFKFQGCDFMGUCH-UHFFFAOYSA-N

CAS 156755-23-6
1 2D Structure

CAS 156755-23-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-bromo-4-phenyl-3,4-dihydrochromen-2-one
2.1.2 InChI
InChI=1S/C15H11BrO2/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-8,12H,9H2
2.1.3 InChI Key
KFKFQGCDFMGUCH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1C(C2=C(C=CC(=C2)Br)OC1=O)C3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 156755-23-6

2. 6-bromo-3,4-dihydro-4-phenyl-2h-1-benzopyran-2-one

3. 6-bromo-4-phenyl-3,4-dihydrochromen-2-one

4. Ec 923-250-0

5. Schembl725197

6. 6-bromo-4-phenyl-2-chromanone

7. Dtxsid80387841

8. Cs-b0084

9. Mfcd03686976

10. Akos027383084

11. (+/-)-6-bromo-4-phenylchroman-2-one

12. 6-bromo-4-phenyl-3,4-dihydro-coumarine

13. Cs-14111

14. A18245

15. 755b236

16. Sr-01000250260

17. Sr-01000250260-1

18. 2h-1-benzopyran-2-one,6-bromo-3,4-dihydro-4-phenyl-,( Inverted Exclamation Marka)-

2.3 Create Date
2005-07-29
3 Chemical and Physical Properties
Molecular Weight 303.15 g/mol
Molecular Formula C15H11BrO2
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass301.99424 g/mol
Monoisotopic Mass301.99424 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity312
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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