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100280-10-2 | Benzenamine, 2-fluoro-4-[(1,1,2,2-tetrafluoroethyl)thio]-
CAS No: 100280-10-2 Catalog No: AG0001H3 MDL No:
Product Description
Catalog Number:
AG0001H3
Chemical Name:
Benzenamine, 2-fluoro-4-[(1,1,2,2-tetrafluoroethyl)thio]-
CAS Number:
100280-10-2
Molecular Formula:
C8H6F5NS
Molecular Weight:
243.1970
IUPAC Name:
2-fluoro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline
InChI:
InChI=1S/C8H6F5NS/c9-5-3-4(1-2-6(5)14)15-8(12,13)7(10)11/h1-3,7H,14H2
InChI Key:
FSBPPSBWORXEST-UHFFFAOYSA-N
SMILES:
FC(C(Sc1ccc(c(c1)F)N)(F)F)F
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.014g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.195g/mol
Monoisotopic Mass:
243.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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