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7402-68-8 | 4-((4-IODOPHENYL)SULFONYL)PHENOL
CAS No: 7402-68-8 Catalog No: AG005I7R MDL No:
Product Description
Catalog Number:
AG005I7R
Chemical Name:
4-((4-IODOPHENYL)SULFONYL)PHENOL
CAS Number:
7402-68-8
Molecular Formula:
C12H9IO3S
Molecular Weight:
360.1675
IUPAC Name:
4-(4-iodophenyl)sulfonylphenol
InChI:
InChI=1S/C12H9IO3S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,14H
InChI Key:
MLNCPPINNAZQHV-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)I
NSC Number:
400310
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.932g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.165g/mol
Monoisotopic Mass:
359.932g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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