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Home > Indoles and Oxindole > 169038-38-4
169038-38-4 | Indolo[2,1-b]quinazoline-6,12-dione, 8-iodo-4-methoxy-
CAS No: 169038-38-4 Catalog No: AG001YGB MDL No:
Product Description
Catalog Number:
AG001YGB
Chemical Name:
Indolo[2,1-b]quinazoline-6,12-dione, 8-iodo-4-methoxy-
CAS Number:
169038-38-4
Molecular Formula:
C16H9IN2O3
Molecular Weight:
404.1587
IUPAC Name:
8-iodo-4-methoxyindolo[2,1-b]quinazoline-6,12-dione
InChI:
InChI=1S/C16H9IN2O3/c1-22-12-4-2-3-9-13(12)18-15-14(20)10-7-8(17)5-6-11(10)19(15)16(9)21/h2-7H,1H3
InChI Key:
BODHONFKPSQHDK-UHFFFAOYSA-N
SMILES:
COc1cccc2c1nc1C(=O)c3c(n1c2=O)ccc(c3)I
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.966g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.163g/mol
Monoisotopic Mass:
403.966g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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