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922189-13-7 | 4(3H)-Quinazolinone, 2-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-6-iodo-
CAS No: 922189-13-7 Catalog No: AG006F1J MDL No:
Product Description
Catalog Number:
AG006F1J
Chemical Name:
4(3H)-Quinazolinone, 2-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-6-iodo-
CAS Number:
922189-13-7
Molecular Formula:
C18H15IN2O3
Molecular Weight:
434.2278
IUPAC Name:
2-[2-(3,5-dimethoxyphenyl)ethenyl]-6-iodo-3H-quinazolin-4-one
InChI:
InChI=1S/C18H15IN2O3/c1-23-13-7-11(8-14(10-13)24-2)3-6-17-20-16-5-4-12(19)9-15(16)18(22)21-17/h3-10H,1-2H3,(H,20,21,22)
InChI Key:
LWJPSFASAIYONO-UHFFFAOYSA-N
SMILES:
COc1cc(/C=C/c2nc3ccc(cc3c(=O)[nH]2)I)cc(c1)OC
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.013g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
434.233g/mol
Monoisotopic Mass:
434.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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