CAS 372-18-9

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Also known as: 372-18-9, M-difluorobenzene, Benzene, 1,3-difluoro-, Benzene, m-difluoro-, 2,4-difluorobenzene, Meta-difluorobenzene

Molecular Formula

C₆H₄F₂

Molecular Weight

114.09 g/mol

InChI Key

UEMGWPRHOOEKTA-UHFFFAOYSA-N

FDA UNII

VO3C26WOC2

1 2D Structure

CAS 372-18-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3-difluorobenzene

2.1.2 InChI

InChI=1S/C6H4F2/c7-5-2-1-3-6(8)4-5/h1-4H

2.1.3 InChI Key

UEMGWPRHOOEKTA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC(=C1)F)F

2.2 Other Identifiers

2.2.1 UNII

VO3C26WOC2

2.3 Synonyms

2.3.1 MeSH Synonyms

1. M-difluorobenzene

2.3.2 Depositor-Supplied Synonyms

1. 372-18-9

2. M-difluorobenzene

3. Benzene, 1,3-difluoro-

4. Benzene, M-difluoro-

5. 2,4-difluorobenzene

6. Meta-difluorobenzene

7. 1,3-difluoro Benzene

8. 1,3-difluorbenzol

9. Vo3c26woc2

10. Nsc-10285

11. Einecs 206-746-5

12. Mfcd00000327

13. Nsc 10285

14. Unii-vo3c26woc2

15. 1,3difluorobenzene

16. 1 3-difluorobenzene

17. 1,3 Difluorobenzene

18. Benzene,3-difluoro-

19. 1,3 Difluoro Benzene

20. 1,3-difluoro-benzene

21. Wln: Fr Cf

22. Schembl13329

23. 1,3-bisfluorobenzene

24. 1,3-difluorobenzene, >=99%

25. Chebi:38584

26. Dtxsid50190682

27. Zinc388529

28. Nsc10285

29. Akos000119939

30. Ps-11965

31. Db-019928

32. Db-049081

33. Am20050129

34. D1626

35. Ft-0606664

36. W-106561

37. Q27117910

38. F0001-1068

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₄F₂
Molecular Weight	114.09 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	114.02810645 g/mol
Monoisotopic Mass	114.02810645 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	64.9
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