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29312-03-6 | Benzene, 1-[(diiodomethyl)sulfonyl]-4-methoxy-
CAS No: 29312-03-6 Catalog No: AG002Y0O MDL No:
Product Description
Catalog Number:
AG002Y0O
Chemical Name:
Benzene, 1-[(diiodomethyl)sulfonyl]-4-methoxy-
CAS Number:
29312-03-6
Molecular Formula:
C8H8I2O3S
Molecular Weight:
438.0213
IUPAC Name:
1-(diiodomethylsulfonyl)-4-methoxybenzene
InChI:
InChI=1S/C8H8I2O3S/c1-13-6-2-4-7(5-3-6)14(11,12)8(9)10/h2-5,8H,1H3
InChI Key:
RXMWSPVUZONTSL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)C(I)I
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.828g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.018g/mol
Monoisotopic Mass:
437.828g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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