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Home > Fluorides > 131587-93-4
131587-93-4 | 4(3H)-Quinazolinone, 3-[2-[(2',4'-difluoro[1,1'-biphenyl]-4-yl)oxy]ethyl]-
CAS No: 131587-93-4 Catalog No: AG000ZGL MDL No:
Product Description
Catalog Number:
AG000ZGL
Chemical Name:
4(3H)-Quinazolinone, 3-[2-[(2',4'-difluoro[1,1'-biphenyl]-4-yl)oxy]ethyl]-
CAS Number:
131587-93-4
Molecular Formula:
C22H16F2N2O2
Molecular Weight:
378.3714
IUPAC Name:
3-[2-[4-(2,4-difluorophenyl)phenoxy]ethyl]quinazolin-4-one
InChI:
InChI=1S/C22H16F2N2O2/c23-16-7-10-18(20(24)13-16)15-5-8-17(9-6-15)28-12-11-26-14-25-21-4-2-1-3-19(21)22(26)27/h1-10,13-14H,11-12H2
InChI Key:
DUBSBPFRYLPHDW-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)c1ccc(cc1)OCCn1cnc2c(c1=O)cccc2
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.118g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.379g/mol
Monoisotopic Mass:
378.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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