1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chloro-1H-quinolin-2-one

2.1.2 InChI

InChI=1S/C9H6ClNO/c10-7-5-9(12)11-8-4-2-1-3-6(7)8/h1-5H,(H,11,12)

2.1.3 InChI Key

YJXTZWWKNXVRHA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 20146-59-2

2. 4-chloro-1h-quinolin-2-one

3. 4-chloro-2(1h)-quinolinone

4. 4-chloro-2-hydroxyquinoline

5. 4-chloro-quinolin-2-ol

6. 4-chloroquinolin-2-ol

7. Nsc170304

8. Schembl2084671

9. Dtxsid10305336

10. Zinc8635200

11. Mfcd05666398

12. Zb0126

13. 4-chloro-2-oxo-1,2-dihydroquinoline

14. Akos006333026

15. Mb03587

16. Nsc-170304

17. As-35876

18. Db-081612

19. 4-chloro-1,2-dihydroquinolin-2-one

20. Cs-0097773

21. Ft-0712426

22. A879811

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₆ClNO
Molecular Weight	179.60 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	179.0137915 g/mol
Monoisotopic Mass	179.0137915 g/mol
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	237
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

CAS 20146-59-2