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919284-59-6 | Pyrrolidine, 3-iodo-1-[(4-methylphenyl)sulfonyl]-
CAS No: 919284-59-6 Catalog No: AG0067MN MDL No:
Product Description
Catalog Number:
AG0067MN
Chemical Name:
Pyrrolidine, 3-iodo-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
919284-59-6
Molecular Formula:
C11H14INO2S
Molecular Weight:
351.2038
IUPAC Name:
3-iodo-1-(4-methylphenyl)sulfonylpyrrolidine
InChI:
InChI=1S/C11H14INO2S/c1-9-2-4-11(5-3-9)16(14,15)13-7-6-10(12)8-13/h2-5,10H,6-8H2,1H3
InChI Key:
NHBLQUHJWALERS-UHFFFAOYSA-N
SMILES:
IC1CCN(C1)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.979g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.202g/mol
Monoisotopic Mass:
350.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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