1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chloro-3-formylbenzenesulfonic acid

2.1.2 InChI

InChI=1S/C7H5ClO4S/c8-7-2-1-6(13(10,11)12)3-5(7)4-9/h1-4H,(H,10,11,12)

2.1.3 InChI Key

FKBTZADMCXPVSF-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 60767-69-3

2. 686-018-5

3. C7h5clo4s

4. Mfcd30717632

5. 2-chloro-1-formylbenzene-5-sulphonic Acid

6. Schembl867183

7. 4-chloro-3-formylbenzenesulfonic

8. Wlz3539

9. Fkbtzadmcxpvsf-uhfffaoysa-n

10. 4-chloro-3-formylbenzenesulfonicacid

11. Akos030632512

12. 4-chloro-3-formylbenzene-1-sulfonic Acid

13. Acido-4-cloro-3-formilbenzen-1-solfonico

14. Ds-20129

15. Sy316325

16. Acido 4-cloro-3-formilbenceno-1-sulfonico

17. Acido-4-cloro-3-formilbenzeno-1-sulfonico

18. Db-117918

19. Acide 4-chloro-3-formylbenzene-1-sulfonique

20. Cs-0160852

21. C75840

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₇H₅ClO₄S
Molecular Weight	220.63 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	79.8
Heavy Atom Count	13
Formal Charge	0
Complexity	281
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 60767-69-3