Home Other Building Blocks 2-[(2,2-difluoroethyl)sulfanyl]-5-fluoroaniline

2-[(2,2-difluoroethyl)sulfanyl]-5-fluoroaniline

CAS No.:
1178843-15-6
Catalog Number:
AG01AJT9
Molecular Formula:
C8H8F3NS
Molecular Weight:
207.2160
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Product Description
Catalog Number:
AG01AJT9
Chemical Name:
2-[(2,2-difluoroethyl)sulfanyl]-5-fluoroaniline
CAS Number:
1178843-15-6
Molecular Formula:
C8H8F3NS
Molecular Weight:
207.2160
MDL Number:
MFCD12807586
IUPAC Name:
2-(2,2-difluoroethylsulfanyl)-5-fluoroaniline
InChI:
InChI=1S/C8H8F3NS/c9-5-1-2-7(6(12)3-5)13-4-8(10)11/h1-3,8H,4,12H2
InChI Key:
JJNXZUOUXQNKSW-UHFFFAOYSA-N
SMILES:
FC(CSc1ccc(cc1N)F)F
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.033g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.214g/mol
Monoisotopic Mass:
207.033g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties