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669762-29-2 | 4(3H)-Quinazolinone, 6,8-diiodo-3-[2-oxo-2-(2-thienyl)ethyl]-
CAS No: 669762-29-2 Catalog No: AG0064ML MDL No:
Product Description
Catalog Number:
AG0064ML
Chemical Name:
4(3H)-Quinazolinone, 6,8-diiodo-3-[2-oxo-2-(2-thienyl)ethyl]-
CAS Number:
669762-29-2
Molecular Formula:
C14H8I2N2O2S
Molecular Weight:
522.0995
IUPAC Name:
6,8-diiodo-3-(2-oxo-2-thiophen-2-ylethyl)quinazolin-4-one
InChI:
InChI=1S/C14H8I2N2O2S/c15-8-4-9-13(10(16)5-8)17-7-18(14(9)20)6-11(19)12-2-1-3-21-12/h1-5,7H,6H2
InChI Key:
BHIJQNDVNNLPQC-UHFFFAOYSA-N
SMILES:
Ic1cc(I)c2c(c1)c(=O)n(cn2)CC(=O)c1cccs1
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
521.84g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
522.099g/mol
Monoisotopic Mass:
521.84g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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