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Home > Fluorides > 1260759-77-0
1260759-77-0 | 4(3H)-Quinazolinone, 7-(trifluoromethoxy)-
CAS No: 1260759-77-0 Catalog No: AG000R4G MDL No:MFCD15527384
Product Description
Catalog Number:
AG000R4G
Chemical Name:
4(3H)-Quinazolinone, 7-(trifluoromethoxy)-
CAS Number:
1260759-77-0
Molecular Formula:
C9H5F3N2O2
Molecular Weight:
230.1434
MDL Number:
MFCD15527384
IUPAC Name:
7-(trifluoromethoxy)-3H-quinazolin-4-one
InChI:
InChI=1S/C9H5F3N2O2/c10-9(11,12)16-5-1-2-6-7(3-5)13-4-14-8(6)15/h1-4H,(H,13,14,15)
InChI Key:
FYRMBJHYCWXLKD-UHFFFAOYSA-N
SMILES:
O=c1[nH]cnc2c1ccc(c2)OC(F)(F)F
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.146g/mol
Monoisotopic Mass:
230.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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