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819864-86-3 | 1-Propanesulfonic acid, 3-[[2-(3-fluorophenyl)-1,1-dimethylethyl]amino]-
CAS No: 819864-86-3 Catalog No: AG0054O7 MDL No:
Product Description
Catalog Number:
AG0054O7
Chemical Name:
1-Propanesulfonic acid, 3-[[2-(3-fluorophenyl)-1,1-dimethylethyl]amino]-
CAS Number:
819864-86-3
Molecular Formula:
C13H20FNO3S
Molecular Weight:
289.3662
IUPAC Name:
3-[[1-(3-fluorophenyl)-2-methylpropan-2-yl]amino]propane-1-sulfonic acid
InChI:
InChI=1S/C13H20FNO3S/c1-13(2,15-7-4-8-19(16,17)18)10-11-5-3-6-12(14)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H,16,17,18)
InChI Key:
WEJOHANJPLVLOZ-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)CC(NCCCS(=O)(=O)O)(C)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.365g/mol
Monoisotopic Mass:
289.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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