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117934-81-3 | Benzene, 2,4-diiodo-1,3,5-trimethoxy-
CAS No: 117934-81-3 Catalog No: AG0081DM MDL No:
Product Description
Catalog Number:
AG0081DM
Chemical Name:
Benzene, 2,4-diiodo-1,3,5-trimethoxy-
CAS Number:
117934-81-3
Molecular Formula:
C9H10I2O3
Molecular Weight:
419.9828
IUPAC Name:
2,4-diiodo-1,3,5-trimethoxybenzene
InChI:
InChI=1S/C9H10I2O3/c1-12-5-4-6(13-2)8(11)9(14-3)7(5)10/h4H,1-3H3
InChI Key:
GPBALMQLIJAZEK-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c(c1I)OC)I
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.872g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.985g/mol
Monoisotopic Mass:
419.872g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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