1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 4-acetamido-5-iodo-2-methoxybenzoate

2.1.2 InChI

InChI=1S/C11H12INO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)

2.1.3 InChI Key

HBIIHFLPYDIZCG-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Methyl 4-acetamido-5-iodo-2-methoxybenzoate

2. 201214-53-1

3. Benzoic Acid, 4-(acetylamino)-5-iodo-2-methoxy-, Methyl Ester

4. Ec 606-440-5

5. N-(2-ethynyl-4-formyl-5-methoxyphenyl)acrylamide

6. C11h12ino4

7. Schembl18239875

8. Dtxsid101240757

9. Bia21453

10. Akos022188139

11. Ds-8883

12. Sb83277

13. Ac-31681

14. Db-130130

15. Methyl4-acetamido-5-iodo-2-methoxybenzoate

16. Ns00002138

17. W16912

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₂INO₄
Molecular Weight	349.12 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	64.6
Heavy Atom Count	17
Formal Charge	0
Complexity	297
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

201214-53-1