CAS 150192-39-5

1 2D Structure

2D Structure

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. Benzenemethanol, 2-bromo-5-methoxy-

5. Mfcd03695463

6. 5-methoxy-2-bromobenzyl Alcohol

7. (2-bromo-5-methoxy-phenyl)methanol

8. Schembl594784

9. Dtxsid40446463

10. Zinc2509472

11. (2-bromo-5-methoxy-phenyl)-methanol

12. Akos009358159

13. Am86627

14. As-62126

15. Sy017794

16. Cs-0147116

17. Ft-0697725

18. A852291

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₉BrO₂
Molecular Weight	217.06 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	215.97859 g/mol
Monoisotopic Mass	215.97859 g/mol
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	119
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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