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70079-50-4 | Benzene, 1-iodo-3-(methylsulfinyl)-
CAS No: 70079-50-4 Catalog No: AG0064O0 MDL No:
Product Description
Catalog Number:
AG0064O0
Chemical Name:
Benzene, 1-iodo-3-(methylsulfinyl)-
CAS Number:
70079-50-4
Molecular Formula:
C7H7IOS
Molecular Weight:
266.0994
IUPAC Name:
1-iodo-3-methylsulfinylbenzene
InChI:
InChI=1S/C7H7IOS/c1-10(9)7-4-2-3-6(8)5-7/h2-5H,1H3
InChI Key:
STTZZFCBPSRTSY-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)S(=O)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.926g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.096g/mol
Monoisotopic Mass:
265.926g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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