1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-bromo-2-propan-2-ylphenol

2.1.2 InChI

InChI=1S/C9H11BrO/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6,11H,1-2H3

2.1.3 InChI Key

IRIAFTMIYRJHNZ-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 26307-50-6

2. Dtxsid50564102

3. Dtxcid40514878

4. 4-bromo-2-isopropylphenol

5. 4-bromo-2-propan-2-ylphenol

6. Phenol, 4-bromo-2-(1-methylethyl)-

7. 4-bromo-2-(1-methylethyl)phenol

8. Mfcd00040203

9. 4-bromo-2-isopropyl-phenol; 4-bromo-2-isopropylphenol;

10. 4-bromo-2-isopropyl-phenol

11. Schembl282835

12. Iriaftmiyrjhnz-uhfffaoysa-n

13. Akos005267226

14. Mb00402

15. As-39425

16. Sy123583

17. Db-367457

18. Cs-0008502

19. En300-114349

20. Z1269143433

2.3 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₁BrO
Molecular Weight	215.09 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	20.2
Heavy Atom Count	11
Formal Charge	0
Complexity	125
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

CAS 26307-50-6