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90778-73-7 | 3-Pyrrolidinol, 2-(1-iodoethyl)-1-[(4-methylphenyl)sulfonyl]-
CAS No: 90778-73-7 Catalog No: AG006AH9 MDL No:
Product Description
Catalog Number:
AG006AH9
Chemical Name:
3-Pyrrolidinol, 2-(1-iodoethyl)-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
90778-73-7
Molecular Formula:
C13H18INO3S
Molecular Weight:
395.2564
IUPAC Name:
2-(1-iodoethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol
InChI:
InChI=1S/C13H18INO3S/c1-9-3-5-11(6-4-9)19(17,18)15-8-7-12(16)13(15)10(2)14/h3-6,10,12-13,16H,7-8H2,1-2H3
InChI Key:
JKQHSVUVKYZTQK-UHFFFAOYSA-N
SMILES:
CC(C1C(O)CCN1S(=O)(=O)c1ccc(cc1)C)I
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.005g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
395.255g/mol
Monoisotopic Mass:
395.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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