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88576-40-3 | Benzene, 1-iodo-4-[(1-methyl-2-propenyl)sulfonyl]-
CAS No: 88576-40-3 Catalog No: AG004BUX MDL No:
Product Description
Catalog Number:
AG004BUX
Chemical Name:
Benzene, 1-iodo-4-[(1-methyl-2-propenyl)sulfonyl]-
CAS Number:
88576-40-3
Molecular Formula:
C10H11IO2S
Molecular Weight:
322.1626
IUPAC Name:
1-but-3-en-2-ylsulfonyl-4-iodobenzene
InChI:
InChI=1S/C10H11IO2S/c1-3-8(2)14(12,13)10-6-4-9(11)5-7-10/h3-8H,1H2,2H3
InChI Key:
NXQSOJKTYXLMNU-UHFFFAOYSA-N
SMILES:
C=CC(S(=O)(=O)c1ccc(cc1)I)C
Properties
Complexity:
284
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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