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88926-49-2 | Thiocyanic acid, 4-(acetylamino)-2-(trifluoromethyl)phenyl ester
CAS No: 88926-49-2 Catalog No: AG0048VI MDL No:
Product Description
Catalog Number:
AG0048VI
Chemical Name:
Thiocyanic acid, 4-(acetylamino)-2-(trifluoromethyl)phenyl ester
CAS Number:
88926-49-2
Molecular Formula:
C10H7F3N2OS
Molecular Weight:
260.2356
IUPAC Name:
[4-acetamido-2-(trifluoromethyl)phenyl] thiocyanate
InChI:
InChI=1S/C10H7F3N2OS/c1-6(16)15-7-2-3-9(17-5-14)8(4-7)10(11,12)13/h2-4H,1H3,(H,15,16)
InChI Key:
DOQUPUGASZUPGL-UHFFFAOYSA-N
SMILES:
N#CSc1ccc(cc1C(F)(F)F)NC(=O)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.234g/mol
Monoisotopic Mass:
260.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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