CAS 946525-30-0

1 2D Structure

CAS 946525-30-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2-bromo-5-iodophenyl)methanol

2.1.2 InChI

InChI=1S/C7H6BrIO/c8-7-2-1-6(9)3-5(7)4-10/h1-3,10H,4H2

2.1.3 InChI Key

WDXHGFYJUQMFDV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1I)CO)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 946525-30-0

2. 2-bromo-5-iodobenzyl Alcohol

3. Mfcd11044842

4. 2-bromo-5-iodobenzenemethanol

5. 2-bromo-5-iodobenzylalcohol

6. Schembl1713834

7. Dtxsid20698488

8. (2-bromo-5-iodo-phenyl)-methanol

9. Amy25402

10. Wmb52530

11. Cl9121

12. Zinc86012811

13. 2-bromo-5-iodobenzyl Alcohol, 97%

14. Akos024258482

15. Ds-9342

16. 4-bromo-3-hydroxymethyl-1-iodo-benzene

17. Ac-30706

18. Da-26783

19. Sy110675

20. Cs-0031364

21. Ft-0707188

22. En300-2950157

23. As-813/43501691

24. Z1269159494

2.3 Create Date

2011-10-30

3 Chemical and Physical Properties

Molecular Formula	C₇H₆BrIO
Molecular Weight	312.93 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	20.2
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

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CAS 946525-30-0

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