1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-bromo-4-(dimethoxymethyl)benzene

2.1.2 InChI

InChI=1S/C9H11BrO2/c1-11-9(12-2)7-3-5-8(10)6-4-7/h3-6,9H,1-2H3

2.1.3 InChI Key

TWFNGPDYMFEHOB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(C1=CC=C(C=C1)Br)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 4-bromobenzaldehyde Dimethyl Acetal

2. 24856-58-4

3. Mfcd01320499

4. 4-bromo-benzaldehyde Dimethyl Acetal

5. Benzene, 1-bromo-4-(dimethoxymethyl)-

6. Schembl6502

7. (4-bromophenyl)dimethoxymethane

8. Zinc57119

9. Dtxsid70350882

10. 1-bromo-4-dimethoxymethyl Benzene

11. 1-bromo-4-dimethoxymethyl-benzene

12. 4-bromobenzaldehyde Dimethyl Ketal

13. 4-bromo-benzaldehyde Dimethyl Ketal

14. Act10978

15. Amy30000

16. 4- Bromobenzaldehyde Dimethyl Acetal

17. Akos015889258

18. 4-bromobenzaldehydedimethylacetal

19. 4-bromobenzaldehyde Dimethyl Acetal, 98%

20. Ps-11664

21. Sy024052

22. Cs-0150667

23. Ft-0699671

24. D84237

25. A877781

26. J-015703

2.3 Create Date

2005-07-07

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₁BrO₂
Molecular Weight	231.09 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	229.99424 g/mol
Monoisotopic Mass	229.99424 g/mol
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	118
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 24856-58-4

CAS 24856-58-4

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