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CAS 150192-39-5
PharmaCompass
CAS 150192-39-5
Also known as: 150192-39-5, 2-bromo-5-methoxybenzyl alcohol, 2-bromo-5-methoxybenzylalcohol, 5-methoxy-2-bromobenzyl alcohol, (2-bromo-5-methoxy-phenyl)methanol, Schembl594784
Molecular Formula
C8H9BrO2
Molecular Weight
217.062  g/mol
InChI Key
NRDAKNCVXNJCGB-UHFFFAOYSA-N

1 2D Structure

CAS 150192-39-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2-bromo-5-methoxyphenyl)methanol
2.1.2 InChI
InChI=1S/C8H9BrO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4,10H,5H2,1H3
2.1.3 InChI Key
NRDAKNCVXNJCGB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC(=C(C=C1)Br)CO
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 150192-39-5

2. 2-bromo-5-methoxybenzyl Alcohol

3. 2-bromo-5-methoxybenzylalcohol

4. 5-methoxy-2-bromobenzyl Alcohol

5. (2-bromo-5-methoxy-phenyl)methanol

6. Schembl594784

7. Acmc-209d42

8. Ctk4c6548

9. Dtxsid40446463

10. Molport-009-682-461

11. Nrdakncvxnjcgb-uhfffaoysa-n

12. Benzenemethanol,2-bromo-5-methoxy-

13. Zinc2509472

14. Anw-21264

15. Benzenemethanol, 2-bromo-5-methoxy-

16. Mfcd03695463

17. (2-bromo-5-methoxy-phenyl)-methanol

18. Akos009358159

19. Am86627

20. Aj-36311

21. Ak105257

22. Kb-01013

23. Or032711

24. Tr-006121

25. Ft-0697725

26. St24033833

27. Z0206

28. B-2417

29. I14-24626

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 217.062 g/mol
Molecular Formula C8H9BrO2
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass215.979 g/mol
Monoisotopic Mass215.979 g/mol
Topological Polar Surface Area29.5 A^2
Heavy Atom Count11
Formal Charge0
Complexity119
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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