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20018-12-6 | Benzene, 1-chloro-4-[(diiodomethyl)sulfonyl]-
CAS No: 20018-12-6 Catalog No: AG002CLH MDL No:MFCD09839019
Product Description
Catalog Number:
AG002CLH
Chemical Name:
Benzene, 1-chloro-4-[(diiodomethyl)sulfonyl]-
CAS Number:
20018-12-6
Molecular Formula:
C7H5ClI2O2S
Molecular Weight:
442.4403
MDL Number:
MFCD09839019
IUPAC Name:
1-chloro-4-(diiodomethylsulfonyl)benzene
InChI:
InChI=1S/C7H5ClI2O2S/c8-5-1-3-6(4-2-5)13(11,12)7(9)10/h1-4,7H
InChI Key:
GASOXIRLBJILKE-UHFFFAOYSA-N
SMILES:
IC(S(=O)(=O)c1ccc(cc1)Cl)I
UNII:
YLS17S94G4
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.779g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.434g/mol
Monoisotopic Mass:
441.779g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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