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28594-60-7 | 4(3H)-Quinazolinone, 2-(2-pyridinyl)-
CAS No: 28594-60-7 Catalog No: AG002VSL MDL No:MFCD01330934
Product Description
Catalog Number:
AG002VSL
Chemical Name:
4(3H)-Quinazolinone, 2-(2-pyridinyl)-
CAS Number:
28594-60-7
Molecular Formula:
C13H9N3O
Molecular Weight:
223.2301
MDL Number:
MFCD01330934
IUPAC Name:
2-pyridin-2-yl-3H-quinazolin-4-one
InChI:
InChI=1S/C13H9N3O/c17-13-9-5-1-2-6-10(9)15-12(16-13)11-7-3-4-8-14-11/h1-8H,(H,15,16,17)
InChI Key:
QLWDRAMFFJADEJ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(nc2c1cccc2)c1ccccn1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.235g/mol
Monoisotopic Mass:
223.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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