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156909-12-5 | 4H-1-Benzothiopyran-4-one, 2-(trifluoromethyl)-
CAS No: 156909-12-5 Catalog No: AG001P3D MDL No:
Product Description
Catalog Number:
AG001P3D
Chemical Name:
4H-1-Benzothiopyran-4-one, 2-(trifluoromethyl)-
CAS Number:
156909-12-5
Molecular Formula:
C10H5F3OS
Molecular Weight:
230.2063
IUPAC Name:
2-(trifluoromethyl)thiochromen-4-one
InChI:
InChI=1S/C10H5F3OS/c11-10(12,13)9-5-7(14)6-3-1-2-4-8(6)15-9/h1-5H
InChI Key:
QPIMCPAISITSCX-UHFFFAOYSA-N
SMILES:
O=c1cc(sc2c1cccc2)C(F)(F)F
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.204g/mol
Monoisotopic Mass:
230.001g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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