Home Halogens 5-chloro-2-[(2,2,2-trifluoroethyl)sulfanyl]aniline

5-chloro-2-[(2,2,2-trifluoroethyl)sulfanyl]aniline

CAS No.:
1019350-70-9
Catalog Number:
AG01AJWE
Molecular Formula:
C8H7ClF3NS
Molecular Weight:
241.6611
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Product Description
Catalog Number:
AG01AJWE
Chemical Name:
5-chloro-2-[(2,2,2-trifluoroethyl)sulfanyl]aniline
CAS Number:
1019350-70-9
Molecular Formula:
C8H7ClF3NS
Molecular Weight:
241.6611
MDL Number:
MFCD11128871
IUPAC Name:
5-chloro-2-(2,2,2-trifluoroethylsulfanyl)aniline
InChI:
InChI=1S/C8H7ClF3NS/c9-5-1-2-7(6(13)3-5)14-4-8(10,11)12/h1-3H,4,13H2
InChI Key:
SUSUIDNJYVJCOU-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)N)SCC(F)(F)F
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.994g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.656g/mol
Monoisotopic Mass:
240.994g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties