CAS 4876-10-2

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Also known as: 4876-10-2, 4-(bromomethyl)quinolin-2(1h)-one, 4-bromomethyl-1,2-dihydroquinolin-2-one, 4-(bromomethyl)-1h-quinolin-2-one, 4-bromomethyl-2(1h)-quinolinone, 4-(bromomethyl)-2(1h)-quinolinone

Molecular Formula

C₁₀H₈BrNO

Molecular Weight

238.08 g/mol

InChI Key

BBAHJCUCNVVEQU-UHFFFAOYSA-N

1 2D Structure

CAS 4876-10-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(bromomethyl)-1H-quinolin-2-one

2.1.2 InChI

InChI=1S/C10H8BrNO/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-5H,6H2,(H,12,13)

2.1.3 InChI Key

BBAHJCUCNVVEQU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C(=CC(=O)N2)CBr

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 4876-10-2

2. 4-(bromomethyl)quinolin-2(1h)-one

3. 4-bromomethyl-1,2-dihydroquinolin-2-one

4. 4-(bromomethyl)-1h-quinolin-2-one

5. 4-bromomethyl-2(1h)-quinolinone

6. 4-(bromomethyl)-2(1h)-quinolinone

7. 2(1h)-quinolinone, 4-(bromomethyl)-

8. 4-bromomethyl-1h-quinolin-2-one

9. Mfcd03426152

10. Nsc108455

11. 4-bromomethylquinolinon

12. 4-bromomethylcarbostyril

13. 4-bromomethyl Carbostyril

14. 4-(bromomethyl)carbostyril

15. 4-(bromomethyl)-2-quinolinol

16. Schembl4045859

17. Schembl11341944

18. 2-hydroxy-4-bromomethylquinoline

19. 4-bromomethyl-2-hydroxyquinoline

20. Dtxsid60296245

21. Albb-025961

22. Amy32591

23. Cs-m3370

24. Zinc8649184

25. Akos000369765

26. Ac-7774

27. Ds-1133

28. Nsc-108455

29. Sb71439

30. Db-010857

31. 4-(bromomethyl)-1,2-dihydroquinolin-2-one

32. B3345

33. Ft-0635469

34. 4-(bromomethyl)-2(1h)-quinolinone, Aldrichcpr

35. 876b102

36. 876h102

37. A827600

38. J-513659

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₈BrNO
Molecular Weight	238.08 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	236.97893 g/mol
Monoisotopic Mass	236.97893 g/mol
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	249
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1