CAS 202865-66-5

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Chemistry

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Also known as: 202865-66-5, (2-bromo-5-fluorophenyl)methanol, 2-bromo-5-fluorobenzylalcohol, Benzenemethanol, 2-bromo-5-fluoro-, Mfcd00142876, Bromo-5-fluorobenzyl alcohol

Molecular Formula

C₇H₆BrFO

Molecular Weight

205.02 g/mol

InChI Key

HXGZPMHPSBJMKB-UHFFFAOYSA-N

1 2D Structure

CAS 202865-66-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2-bromo-5-fluorophenyl)methanol

2.1.2 InChI

InChI=1S/C7H6BrFO/c8-7-2-1-6(9)3-5(7)4-10/h1-3,10H,4H2

2.1.3 InChI Key

HXGZPMHPSBJMKB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1F)CO)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 202865-66-5

2. (2-bromo-5-fluorophenyl)methanol

3. 2-bromo-5-fluorobenzylalcohol

4. Benzenemethanol, 2-bromo-5-fluoro-

5. Mfcd00142876

6. Bromo-5-fluorobenzyl Alcohol

7. Schembl458270

8. Dtxsid00378397

9. (2-bromo-5-fluoro-phenyl)methanol

10. (2-bromo-5-fluorophenyl)-methanol

11. Act09673

12. Zinc2512345

13. (2- Bromo-5-fluoro-phenyl)methanol

14. (2-bromo-5-fluoro-phenyl)-methanol

15. Akos005257312

16. 2-bromo-5-fluorobenzyl Alcohol, 97%

17. Ac-2309

18. Cs-w008302

19. Ds-0989

20. Ps-8130

21. (2-bromanyl-5-fluoranyl-phenyl)methanol

22. Sy014474

23. Am20050134

24. Ft-0652763

25. A802341

26. W-206496

27. (2-bromo-5-fluorophenyl)methanol;2-bromo-5-fluorobenzyl Alcohol

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₇H₆BrFO
Molecular Weight	205.02 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	203.95861 g/mol
Monoisotopic Mass	203.95861 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	110
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