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918402-55-8

918402-55-8 | Benzoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]oxy]-2-iodo-, ethyl ester

CAS No: 918402-55-8 Catalog No: AG006G1A MDL No:

Product Description

Catalog Number:
AG006G1A
Chemical Name:
Benzoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]oxy]-2-iodo-, ethyl ester
CAS Number:
918402-55-8
Molecular Formula:
C14H17IO5
Molecular Weight:
392.1862
IUPAC Name:
ethyl 2-iodo-3-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate
InChI:
InChI=1S/C14H17IO5/c1-5-18-12(16)9-7-6-8-10(11(9)15)19-13(17)20-14(2,3)4/h6-8H,5H2,1-4H3
InChI Key:
SXXNNPNOIAQWRK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1I)OC(=O)OC(C)(C)C

Properties

Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.012g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.189g/mol
Monoisotopic Mass:
392.012g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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