CAS 573-17-1

Chemistry

Chemistry

Also known as: 573-17-1, Phenanthrene, 9-bromo-, 9-phenathryl bromide, 9-phenanthryl bromide, 9-bromo-phenanthrene, Mfcd00001174

Molecular Formula

C₁₄H₉Br

Molecular Weight

257.12 g/mol

InChI Key

RSQXKVWKJVUZDG-UHFFFAOYSA-N

1 2D Structure

CAS 573-17-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

9-bromophenanthrene

2.1.2 InChI

InChI=1S/C14H9Br/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H

2.1.3 InChI Key

RSQXKVWKJVUZDG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 573-17-1

2. Phenanthrene, 9-bromo-

3. 9-phenathryl Bromide

4. 9-phenanthryl Bromide

5. 9-bromo-phenanthrene

6. Mfcd00001174

7. Einecs 209-351-6

8. Nsc 400708

9. Brn 1869927

10. Ai3-03652

11. 9-bromphenanthren

12. 9-bromophenathrene

13. 9-bromanylphenanthrene

14. 9-bromophenanthrene, 96%

15. Dsstox_cid_29277

16. Dsstox_rid_83396

17. Unii-n4xaw27z35

18. Dsstox_gsid_49321

19. Schembl184768

20. N4xaw27z35

21. Chembl3188808

22. Dtxsid4049321

23. Zinc1593477

24. Tox21_202933

25. Nsc400708

26. Akos005137885

27. Ac-1653

28. Cs-w012551

29. Nsc-400708

30. Ol10156

31. Sb66961

32. Ncgc00260479-01

33. Cas-573-17-1

34. Ds-18399

35. Sy033186

36. Db-053033

37. B0838

38. Ft-0621632

39. 573b171

40. A831390

41. W-105473

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₉Br
Molecular Weight	257.12 g/mol
XLogP3	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	255.98876 g/mol
Monoisotopic Mass	255.98876 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	225
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

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