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1183142-42-8 | 1-(N-(2,2,2-Trifluoroethyl)sulfamoyl)piperidine-4-carboxylic acid
CAS No: 1183142-42-8 Catalog No: AG01FMOB MDL No:MFCD13154640
Product Description
Catalog Number:
AG01FMOB
Chemical Name:
1-(N-(2,2,2-Trifluoroethyl)sulfamoyl)piperidine-4-carboxylic acid
CAS Number:
1183142-42-8
Molecular Formula:
C8H13F3N2O4S
Molecular Weight:
290.2600
MDL Number:
MFCD13154640
IUPAC Name:
1-(2,2,2-trifluoroethylsulfamoyl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C8H13F3N2O4S/c9-8(10,11)5-12-18(16,17)13-3-1-6(2-4-13)7(14)15/h6,12H,1-5H2,(H,14,15)
InChI Key:
NJNHEUHDILUVAE-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)S(=O)(=O)NCC(F)(F)F
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.055g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.257g/mol
Monoisotopic Mass:
290.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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