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90059-40-8 | 4(3H)-Quinazolinone, 2-(4-chlorophenyl)-3-(3-methyl-5-isoxazolyl)-
CAS No: 90059-40-8 Catalog No: AG006KF0 MDL No:
Product Description
Catalog Number:
AG006KF0
Chemical Name:
4(3H)-Quinazolinone, 2-(4-chlorophenyl)-3-(3-methyl-5-isoxazolyl)-
CAS Number:
90059-40-8
Molecular Formula:
C18H12ClN3O2
Molecular Weight:
337.7598
IUPAC Name:
2-(4-chlorophenyl)-3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4-one
InChI:
InChI=1S/C18H12ClN3O2/c1-11-10-16(24-21-11)22-17(12-6-8-13(19)9-7-12)20-15-5-3-2-4-14(15)18(22)23/h2-10H,1H3
InChI Key:
WDXFLBLHKQYIIP-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nc2ccccc2c(=O)n1c1onc(c1)C
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.062g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.763g/mol
Monoisotopic Mass:
337.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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