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819865-16-2 | 1-Propanesulfonic acid, 3-[[2-(2-chlorophenyl)-1,1-dimethylethyl]amino]-
CAS No: 819865-16-2 Catalog No: AG0054O6 MDL No:
Product Description
Catalog Number:
AG0054O6
Chemical Name:
1-Propanesulfonic acid, 3-[[2-(2-chlorophenyl)-1,1-dimethylethyl]amino]-
CAS Number:
819865-16-2
Molecular Formula:
C13H20ClNO3S
Molecular Weight:
305.8208
IUPAC Name:
3-[[1-(2-chlorophenyl)-2-methylpropan-2-yl]amino]propane-1-sulfonic acid
InChI:
InChI=1S/C13H20ClNO3S/c1-13(2,15-8-5-9-19(16,17)18)10-11-6-3-4-7-12(11)14/h3-4,6-7,15H,5,8-10H2,1-2H3,(H,16,17,18)
InChI Key:
LJLVFSIWMHOAOB-UHFFFAOYSA-N
SMILES:
Clc1ccccc1CC(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:
305.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.817g/mol
Monoisotopic Mass:
305.085g/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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