Home Halogens 3-chloro-2-[(2,2-difluoroethyl)sulfanyl]aniline

3-chloro-2-[(2,2-difluoroethyl)sulfanyl]aniline

CAS No.:
1179075-22-9
Catalog Number:
AG01AJPO
Molecular Formula:
C8H8ClF2NS
Molecular Weight:
223.6706
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Product Description
Catalog Number:
AG01AJPO
Chemical Name:
3-chloro-2-[(2,2-difluoroethyl)sulfanyl]aniline
CAS Number:
1179075-22-9
Molecular Formula:
C8H8ClF2NS
Molecular Weight:
223.6706
MDL Number:
MFCD12768620
IUPAC Name:
3-chloro-2-(2,2-difluoroethylsulfanyl)aniline
InChI:
InChI=1S/C8H8ClF2NS/c9-5-2-1-3-6(12)8(5)13-4-7(10)11/h1-3,7H,4,12H2
InChI Key:
BNCQGWMLWMLWEN-UHFFFAOYSA-N
SMILES:
FC(CSc1c(N)cccc1Cl)F
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.003g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.666g/mol
Monoisotopic Mass:
223.003g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties