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2D Structure
Also known as: 15733-22-9, Sodium p-chloro-m-cresol, 4-chloro-m-cresol sodium salt, Sodium;4-chloro-3-methylphenolate, 2-chloro-5-hydroxytoluene sodium salt, 343kva8y38
Molecular Formula
C7H6ClNaO
Molecular Weight
164.56  g/mol
InChI Key
DPHAGKRZIJHMNL-UHFFFAOYSA-M
FDA UNII
343KVA8Y38

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;4-chloro-3-methylphenolate
2.1.2 InChI
InChI=1S/C7H7ClO.Na/c1-5-4-6(9)2-3-7(5)8;/h2-4,9H,1H3;/q;+1/p-1
2.1.3 InChI Key
DPHAGKRZIJHMNL-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CC1=C(C=CC(=C1)[O-])Cl.[Na+]
2.2 Other Identifiers
2.2.1 UNII
343KVA8Y38
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 15733-22-9

2. Sodium P-chloro-m-cresol

3. 4-chloro-m-cresol Sodium Salt

4. Sodium;4-chloro-3-methylphenolate

5. 2-chloro-5-hydroxytoluene Sodium Salt

6. 343kva8y38

7. P-chloro-m-cresol Sodium Salt

8. 3-methyl-4-chlorophenol, Sodium Salt

9. Caswell No. 756

10. Chlorocresol Sodium

11. Phenol, 4-chloro-3-methyl-, Sodium Salt

12. Sodium 4-chloro-3-methylphenolate

13. Sodium 4-chloro-m-cresolate

14. Unii-343kva8y38

15. P-chloro-m-cresol, Sodium Salt

16. Sodium 4-chloro-3-methylphenoxide

17. Einecs 239-825-8

18. Epa Pesticide Chemical Code 064205

19. Phenol, 4-chloro-3-methyl-, Sodium Salt (1:1)

20. Schembl2393522

21. Dtxsid7035696

22. Preventol Cmk Sodium Salt

23. Sodium-4-chloro-3-methylphenolate

24. Sodium 3-methyl-4-chlorophenolate

25. 4-chloro-m-cresol, Sodium Salt

26. Sodium P-chloro-m-cresol [inci]

27. 1-phenyl-1-chloroethane Sodium Salt

28. 2-chloro-5-hydroxytoluene Sodium Salt, Aldrichcpr

29. W-110414

30. Q27256325

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 164.56 g/mol
Molecular Formula C7H6ClNaO
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass164.0004868 g/mol
Monoisotopic Mass164.0004868 g/mol
Topological Polar Surface Area23.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity99.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2