COC1=CC(=CC(=C1OC)OC)I
CAS: 25245-29-8
Название: 5-iodo-1,2,3-trimethoxybenzene
SMILES: COC1=CC(=CC(=C1OC)OC)I

Molecular Processing

Molecular formula
C9H11IO3
Molecular weight
294.09
Exact mass
293.9753
XLogP
2.32
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
58.82

Supplementary Information

InChIKey: IWPMQXOVTMABLF-UHFFFAOYSA-N
Синонимы
5-Iodo-1,2,3-trimethoxybenzeneDTXSID20305241RefChem:536285DTXCID30256371626-415-225245-29-8MFCD013181533,4,5-trimethoxyiodobenzeneC9H11IO35-Iodo-1,2,3-trimethoxy-benzeneBenzene, 5-iodo-1,2,3-trimethoxy-1-iodo-3,4,5-trimethoxybenzeneNSC169997SCHEMBL2103583,4,5-trimethoxy-iodobenzene3,4,5-trimethoxyphenyl iodide3,4,5-trimethoxy-iodo-benzeneIWPMQXOVTMABLF-UHFFFAOYSA-NZB0681AKOS005255098NSC-169997DS-11511SY101193CS-0059273ST51040173AE-641/00004058F3333965-Iodo-1,2,3-trimethoxybenzene, >=97.0% (GC)
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