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23149-33-9 | Benzene, 1-iodo-2,4,5-trimethoxy-
CAS No: 23149-33-9 Catalog No: AG002MD1 MDL No:MFCD09835332
Product Description
Catalog Number:
AG002MD1
Chemical Name:
Benzene, 1-iodo-2,4,5-trimethoxy-
CAS Number:
23149-33-9
Molecular Formula:
C9H11IO3
Molecular Weight:
294.0863
MDL Number:
MFCD09835332
IUPAC Name:
1-iodo-2,4,5-trimethoxybenzene
InChI:
InChI=1S/C9H11IO3/c1-11-7-5-9(13-3)8(12-2)4-6(7)10/h4-5H,1-3H3
InChI Key:
FKSAUXPNRFVVOI-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(cc1OC)I
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.975g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.088g/mol
Monoisotopic Mass:
293.975g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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