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819864-64-7 | 1-Propanesulfonic acid, 3-[[2-(4-iodophenyl)-1,1-dimethylethyl]amino]-
CAS No: 819864-64-7 Catalog No: AG004Z2Q MDL No:
Product Description
Catalog Number:
AG004Z2Q
Chemical Name:
1-Propanesulfonic acid, 3-[[2-(4-iodophenyl)-1,1-dimethylethyl]amino]-
CAS Number:
819864-64-7
Molecular Formula:
C13H20INO3S
Molecular Weight:
397.2723
IUPAC Name:
3-[[1-(4-iodophenyl)-2-methylpropan-2-yl]amino]propane-1-sulfonic acid
InChI:
InChI=1S/C13H20INO3S/c1-13(2,15-8-3-9-19(16,17)18)10-11-4-6-12(14)7-5-11/h4-7,15H,3,8-10H2,1-2H3,(H,16,17,18)
InChI Key:
WWUPNPNCIZYJLK-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)I)(NCCCS(=O)(=O)O)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.021g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
397.271g/mol
Monoisotopic Mass:
397.021g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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