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1217-26-1 | 2,4(1H,3H)-Quinazolinedione, 3-(2-pyridinyl)-
CAS No: 1217-26-1 Catalog No: AG0015LM MDL No:
Product Description
Catalog Number:
AG0015LM
Chemical Name:
2,4(1H,3H)-Quinazolinedione, 3-(2-pyridinyl)-
CAS Number:
1217-26-1
Molecular Formula:
C13H9N3O2
Molecular Weight:
239.2295
IUPAC Name:
3-pyridin-2-yl-1H-quinazoline-2,4-dione
InChI:
InChI=1S/C13H9N3O2/c17-12-9-5-1-2-6-10(9)15-13(18)16(12)11-7-3-4-8-14-11/h1-8H,(H,15,18)
InChI Key:
KGCDDIURFFCFTR-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2ccccc2c(=O)n1c1ccccn1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.234g/mol
Monoisotopic Mass:
239.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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