Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 4521-61-3, Benzoyl chloride, 3,4,5-trimethoxy-, Trimethylgalloyl chloride, Tri-o-methylgalloyl chloride, 3,4,5-trimethoxybenzoylchloride, Mfcd00000675
Molecular Formula
C10H11ClO4
Molecular Weight
230.64  g/mol
InChI Key
BUHYMJLFRZAFBF-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3,4,5-trimethoxybenzoyl chloride
2.1.2 InChI
InChI=1S/C10H11ClO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3
2.1.3 InChI Key
BUHYMJLFRZAFBF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 4521-61-3

2. Benzoyl Chloride, 3,4,5-trimethoxy-

3. Trimethylgalloyl Chloride

4. Tri-o-methylgalloyl Chloride

5. 3,4,5-trimethoxybenzoylchloride

6. Mfcd00000675

7. Einecs 224-851-4

8. Nsc 91023

9. Nciopen2_005468

10. Schembl219096

11. 3,5-trimethoxybenzoyl Chloride

12. Dtxsid2063507

13. 3,4,5-trimethoxy-benzoylchloride

14. 3,4,5-trimethoxybenzoyl-chloride

15. Benzoyl Chloride,4,5-trimethoxy-

16. 3,4,5-trimethoxy-benzoyl Chloride

17. 3,4,5-trimethoxybenzoyl Chloride;

18. Nsc91023

19. Nsc-91023

20. 3.4.5-trimethoxybenzoic Acid Chloride

21. Akos000268689

22. 3,4,5-trimethoxybenzoyl Chloride, 98%

23. Sy049734

24. Vs-02936

25. Ft-0614166

26. T1842

27. En300-19837

28. W-109981

29. F2190-0056

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 230.64 g/mol
Molecular Formula C10H11ClO4
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area44.8
Heavy Atom Count15
Formal Charge0
Complexity208
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1