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88538-93-6 | 4(3H)-Quinazolinone, 3-[4-(4-fluorophenoxy)phenyl]-2-methyl-
CAS No: 88538-93-6 Catalog No: AG004E5L MDL No:
Product Description
Catalog Number:
AG004E5L
Chemical Name:
4(3H)-Quinazolinone, 3-[4-(4-fluorophenoxy)phenyl]-2-methyl-
CAS Number:
88538-93-6
Molecular Formula:
C21H15FN2O2
Molecular Weight:
346.3544
IUPAC Name:
3-[4-(4-fluorophenoxy)phenyl]-2-methylquinazolin-4-one
InChI:
InChI=1S/C21H15FN2O2/c1-14-23-20-5-3-2-4-19(20)21(25)24(14)16-8-12-18(13-9-16)26-17-10-6-15(22)7-11-17/h2-13H,1H3
InChI Key:
FIBXJQUKOHKGHU-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Oc1ccc(cc1)n1c(C)nc2c(c1=O)cccc2
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.112g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.361g/mol
Monoisotopic Mass:
346.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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