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Home > Fluorides > 1295538-24-7
1295538-24-7 | 4(1H)-Quinazolinone, 1-[3-[3,4-bis(trifluoromethoxy)phenyl]-1-oxo-2-propen-1-yl]-
CAS No: 1295538-24-7 Catalog No: AG000Z7H MDL No:
Product Description
Catalog Number:
AG000Z7H
Chemical Name:
4(1H)-Quinazolinone, 1-[3-[3,4-bis(trifluoromethoxy)phenyl]-1-oxo-2-propen-1-yl]-
CAS Number:
1295538-24-7
Molecular Formula:
C19H10F6N2O4
Molecular Weight:
444.2841
IUPAC Name:
1-[(E)-3-[3,4-bis(trifluoromethoxy)phenyl]prop-2-enoyl]quinazolin-4-one
InChI:
InChI=1S/C19H10F6N2O4/c20-18(21,22)30-14-7-5-11(9-15(14)31-19(23,24)25)6-8-16(28)27-10-26-17(29)12-3-1-2-4-13(12)27/h1-10H/b8-6+
InChI Key:
JPPSTCQGGQFDCS-SOFGYWHQSA-N
SMILES:
O=c1ncn(c2c1cccc2)C(=O)C=Cc1ccc(c(c1)OC(F)(F)F)OC(F)(F)F
Properties
Complexity:
736
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
444.054g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
444.289g/mol
Monoisotopic Mass:
444.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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