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Home > Fluorides > 147972-26-7
147972-26-7 | Thieno[3,2-d]pyrimidin-4(3H)-one, 2-(trifluoromethyl)-
CAS No: 147972-26-7 Catalog No: AG001FBV MDL No:
Product Description
Catalog Number:
AG001FBV
Chemical Name:
Thieno[3,2-d]pyrimidin-4(3H)-one, 2-(trifluoromethyl)-
CAS Number:
147972-26-7
Molecular Formula:
C7H3F3N2OS
Molecular Weight:
220.1717
IUPAC Name:
2-(trifluoromethyl)-3H-thieno[3,2-d]pyrimidin-4-one
InChI:
InChI=1S/C7H3F3N2OS/c8-7(9,10)6-11-3-1-2-14-4(3)5(13)12-6/h1-2H,(H,11,12,13)
InChI Key:
HQOYCMNAXBKANH-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(nc2c1scc2)C(F)(F)F
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.169g/mol
Monoisotopic Mass:
219.992g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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