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Home Other Building Blocks N-METHYL-N-[3-(PENTAFLUOROSULFANYL)BENZYL]AMINE

N-METHYL-N-[3-(PENTAFLUOROSULFANYL)BENZYL]AMINE

CAS No.:
1287218-09-0
Catalog Number:
AG01BNHC
Molecular Formula:
C8H10F5NS
Molecular Weight:
247.2287
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Product Description
Catalog Number:
AG01BNHC
Chemical Name:
N-METHYL-N-[3-(PENTAFLUOROSULFANYL)BENZYL]AMINE
CAS Number:
1287218-09-0
Molecular Formula:
C8H10F5NS
Molecular Weight:
247.2287
MDL Number:
MFCD18089188
IUPAC Name:
N-methyl-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
InChI:
InChI=1S/C8H10F5NS/c1-14-6-7-3-2-4-8(5-7)15(9,10,11,12)13/h2-5,14H,6H2,1H3
InChI Key:
OEKCOXNPMCKNQA-UHFFFAOYSA-N
SMILES:
CNCc1cccc(c1)S(F)(F)(F)(F)F
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.045g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.227g/mol
Monoisotopic Mass:
247.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
13A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties