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7718-66-3 | Benzene,1-(iodomethyl)-4-(phenylsulfonyl)-
CAS No: 7718-66-3 Catalog No: AG005DD4 MDL No:
Product Description
Catalog Number:
AG005DD4
Chemical Name:
Benzene,1-(iodomethyl)-4-(phenylsulfonyl)-
CAS Number:
7718-66-3
Molecular Formula:
C13H11IO2S
Molecular Weight:
358.1947
IUPAC Name:
1-(benzenesulfonyl)-4-(iodomethyl)benzene
InChI:
InChI=1S/C13H11IO2S/c14-10-11-6-8-13(9-7-11)17(15,16)12-4-2-1-3-5-12/h1-9H,10H2
InChI Key:
DLQIKZDWUYFJJA-UHFFFAOYSA-N
SMILES:
ICc1ccc(cc1)S(=O)(=O)c1ccccc1
NSC Number:
98996
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.952g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.193g/mol
Monoisotopic Mass:
357.952g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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