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102737-57-5

102737-57-5 | Ethanone, 1-(2-iodo-3,4,5-trimethoxyphenyl)-

CAS No: 102737-57-5 Catalog No: AG00089V MDL No:

Product Description

Catalog Number:
AG00089V
Chemical Name:
Ethanone, 1-(2-iodo-3,4,5-trimethoxyphenyl)-
CAS Number:
102737-57-5
Molecular Formula:
C11H13IO4
Molecular Weight:
336.1230
IUPAC Name:
1-(2-iodo-3,4,5-trimethoxyphenyl)ethanone
InChI:
InChI=1S/C11H13IO4/c1-6(13)7-5-8(14-2)10(15-3)11(16-4)9(7)12/h5H,1-4H3
InChI Key:
OGTWOVJVPQYEOS-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)C)c(c(c1OC)OC)I

Properties

Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.986g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.125g/mol
Monoisotopic Mass:
335.986g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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