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95526-68-4 | Benzene, 1-[(3-iodo-1-propenyl)sulfonyl]-4-methyl-
CAS No: 95526-68-4 Catalog No: AG00H92A MDL No:
Product Description
Catalog Number:
AG00H92A
Chemical Name:
Benzene, 1-[(3-iodo-1-propenyl)sulfonyl]-4-methyl-
CAS Number:
95526-68-4
Molecular Formula:
C10H11IO2S
Molecular Weight:
322.1626
IUPAC Name:
1-(3-iodoprop-1-enylsulfonyl)-4-methylbenzene
InChI:
InChI=1S/C10H11IO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,7H2,1H3
InChI Key:
GZHHHELXBTTXEM-UHFFFAOYSA-N
SMILES:
ICC=CS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.952g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.16g/mol
Monoisotopic Mass:
321.952g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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