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959236-79-4 | 8-Iodoquinazoline-2,4(1H,3H);-dione
CAS No: 959236-79-4 Catalog No: AG006A8F MDL No:MFCD09954831
Product Description
Catalog Number:
AG006A8F
Chemical Name:
8-Iodoquinazoline-2,4(1H,3H);-dione
CAS Number:
959236-79-4
Molecular Formula:
C8H5IN2O2
Molecular Weight:
288.0420
MDL Number:
MFCD09954831
IUPAC Name:
8-iodo-1H-quinazoline-2,4-dione
InChI:
InChI=1S/C8H5IN2O2/c9-5-3-1-2-4-6(5)10-8(13)11-7(4)12/h1-3H,(H2,10,11,12,13)
InChI Key:
IXRBNJRIAAWODM-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(I)cccc2c(=O)[nH]1
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:
1.4
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