Home Other Building Blocks 3-(TRIFLUOROMETHYL)BENZYLSULFONYL ACETONITRILE

3-(TRIFLUOROMETHYL)BENZYLSULFONYL ACETONITRILE

CAS No.:
175276-81-0
Catalog Number:
AG00AC96
Molecular Formula:
C10H8F3NO2S
Molecular Weight:
263.2362
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Product Description
Catalog Number:
AG00AC96
Chemical Name:
3-(TRIFLUOROMETHYL)BENZYLSULFONYL ACETONITRILE
CAS Number:
175276-81-0
Molecular Formula:
C10H8F3NO2S
Molecular Weight:
263.2362
MDL Number:
MFCD00173822
IUPAC Name:
2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetonitrile
InChI:
InChI=1S/C10H8F3NO2S/c11-10(12,13)9-3-1-2-8(6-9)7-17(15,16)5-4-14/h1-3,6H,5,7H2
InChI Key:
MXAFRLGCENSSSL-UHFFFAOYSA-N
SMILES:
N#CCS(=O)(=O)Cc1cccc(c1)C(F)(F)F
Properties
Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.023g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.234g/mol
Monoisotopic Mass:
263.023g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties