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Home > Fluorides > 1389313-68-1
1389313-68-1 | 2-Trifluoromethylpiperidine sulfonyl chloride
CAS No: 1389313-68-1 Catalog No: AG01FACC MDL No:MFCD22380067
Product Description
Catalog Number:
AG01FACC
Chemical Name:
2-Trifluoromethylpiperidine sulfonyl chloride
CAS Number:
1389313-68-1
Molecular Formula:
C6H9ClF3NO2S
Molecular Weight:
251.6544
MDL Number:
MFCD22380067
IUPAC Name:
2-(trifluoromethyl)piperidine-1-sulfonyl chloride
InChI:
InChI=1S/C6H9ClF3NO2S/c7-14(12,13)11-4-2-1-3-5(11)6(8,9)10/h5H,1-4H2
InChI Key:
HHYSBNILYUIIAS-UHFFFAOYSA-N
SMILES:
FC(C1CCCCN1S(=O)(=O)Cl)(F)F
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.999g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.648g/mol
Monoisotopic Mass:
250.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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