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819865-44-6 | 1-Propanesulfonic acid, 3-[[1-[(4-fluorophenyl)methyl]cyclohexyl]amino]-
CAS No: 819865-44-6 Catalog No: AG0054O4 MDL No:
Product Description
Catalog Number:
AG0054O4
Chemical Name:
1-Propanesulfonic acid, 3-[[1-[(4-fluorophenyl)methyl]cyclohexyl]amino]-
CAS Number:
819865-44-6
Molecular Formula:
C16H24FNO3S
Molecular Weight:
329.4301
IUPAC Name:
3-[[1-[(4-fluorophenyl)methyl]cyclohexyl]amino]propane-1-sulfonic acid
InChI:
InChI=1S/C16H24FNO3S/c17-15-7-5-14(6-8-15)13-16(9-2-1-3-10-16)18-11-4-12-22(19,20)21/h5-8,18H,1-4,9-13H2,(H,19,20,21)
InChI Key:
QOIJPAFTVRJKSM-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)CC1(NCCCS(=O)(=O)O)CCCCC1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.146g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.43g/mol
Monoisotopic Mass:
329.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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