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959236-72-7 | 7-Iodoquinazoline-2,4(1H,3H);-dione
CAS No: 959236-72-7 Catalog No: AG005WJ8 MDL No:MFCD09954830
Product Description
Catalog Number:
AG005WJ8
Chemical Name:
7-Iodoquinazoline-2,4(1H,3H);-dione
CAS Number:
959236-72-7
Molecular Formula:
C8H5IN2O2
Molecular Weight:
288.0420
MDL Number:
MFCD09954830
IUPAC Name:
7-iodo-1H-quinazoline-2,4-dione
InChI:
InChI=1S/C8H5IN2O2/c9-4-1-2-5-6(3-4)10-8(13)11-7(5)12/h1-3H,(H2,10,11,12,13)
InChI Key:
USQDOSUQXJGECF-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)[nH]c(=O)[nH]c2=O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.94g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.044g/mol
Monoisotopic Mass:
287.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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