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1053656-09-9 | 3-(Trifluoromethoxy)thiobenzamide
CAS No: 1053656-09-9 Catalog No: AG01FEAB MDL No:
Product Description
Catalog Number:
AG01FEAB
Chemical Name:
3-(Trifluoromethoxy)thiobenzamide
CAS Number:
1053656-09-9
Molecular Formula:
C8H6F3NOS
Molecular Weight:
221.1995
IUPAC Name:
3-(trifluoromethoxy)benzenecarbothioamide
InChI:
InChI=1S/C8H6F3NOS/c9-8(10,11)13-6-3-1-2-5(4-6)7(12)14/h1-4H,(H2,12,14)
InChI Key:
KGDKLGFSPGGSRL-UHFFFAOYSA-N
SMILES:
NC(=S)c1cccc(c1)OC(F)(F)F
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.197g/mol
Monoisotopic Mass:
221.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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