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115592-75-1 | Benzene, 1,3-diiodo-4,5,6-trimethoxy-2-methyl-
CAS No: 115592-75-1 Catalog No: AG000G82 MDL No:
Product Description
Catalog Number:
AG000G82
Chemical Name:
Benzene, 1,3-diiodo-4,5,6-trimethoxy-2-methyl-
CAS Number:
115592-75-1
Molecular Formula:
C10H12I2O3
Molecular Weight:
434.0094
IUPAC Name:
1,5-diiodo-2,3,4-trimethoxy-6-methylbenzene
InChI:
InChI=1S/C10H12I2O3/c1-5-6(11)8(13-2)10(15-4)9(14-3)7(5)12/h1-4H3
InChI Key:
AUGZHVUCJIMWNT-UHFFFAOYSA-N
SMILES:
COc1c(OC)c(OC)c(c(c1I)C)I
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.888g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.012g/mol
Monoisotopic Mass:
433.888g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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