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16064-08-7 | 6-Iodoquinazolin-4-one
CAS No: 16064-08-7 Catalog No: AG003N8Y MDL No:MFCD00195324
Product Description
Catalog Number:
AG003N8Y
Chemical Name:
6-Iodoquinazolin-4-one
CAS Number:
16064-08-7
Molecular Formula:
C8H5IN2O
Molecular Weight:
272.0426
MDL Number:
MFCD00195324
IUPAC Name:
6-iodo-3H-quinazolin-4-one
InChI:
InChI=1S/C8H5IN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)
InChI Key:
PUGXMZKDRVGIHC-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)c(=O)nc[nH]2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.945g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.045g/mol
Monoisotopic Mass:
271.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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