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26197-90-0 | 4(1H)-Quinazolinone, 2-phenyl-1-(2-propyn-1-yl)-
CAS No: 26197-90-0 Catalog No: AG002S8H MDL No:
Product Description
Catalog Number:
AG002S8H
Chemical Name:
4(1H)-Quinazolinone, 2-phenyl-1-(2-propyn-1-yl)-
CAS Number:
26197-90-0
Molecular Formula:
C17H12N2O
Molecular Weight:
260.2900
IUPAC Name:
2-phenyl-1-prop-2-ynylquinazolin-4-one
InChI:
InChI=1S/C17H12N2O/c1-2-12-19-15-11-7-6-10-14(15)17(20)18-16(19)13-8-4-3-5-9-13/h1,3-11H,12H2
InChI Key:
ZLYPVNFSSUGHIL-UHFFFAOYSA-N
SMILES:
C#CCn1c(nc(=O)c2c1cccc2)c1ccccc1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.296g/mol
Monoisotopic Mass:
260.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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