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1178275-82-5 | "1-(N-(2,2,2-trifluoroethyl)sulfamoyl)piperidine-3-carboxylic acid"
CAS No: 1178275-82-5 Catalog No: AG01FMOI MDL No:MFCD13154641
Product Description
Catalog Number:
AG01FMOI
Chemical Name:
"1-(N-(2,2,2-trifluoroethyl)sulfamoyl)piperidine-3-carboxylic acid"
CAS Number:
1178275-82-5
Molecular Formula:
C8H13F3N2O4S
Molecular Weight:
290.2600
MDL Number:
MFCD13154641
IUPAC Name:
1-(2,2,2-trifluoroethylsulfamoyl)piperidine-3-carboxylic acid
InChI:
InChI=1S/C8H13F3N2O4S/c9-8(10,11)5-12-18(16,17)13-3-1-2-6(4-13)7(14)15/h6,12H,1-5H2,(H,14,15)
InChI Key:
LZFXZFCBIQMKCA-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)S(=O)(=O)NCC(F)(F)F
Properties
Complexity:
404
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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