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88969-72-6 | Imidazo[2,1-b]quinazolin-5(10H)-one, 2,3-dihydro-10-(3-nitrophenyl)-
CAS No: 88969-72-6 Catalog No: AG0046VI MDL No:
Product Description
Catalog Number:
AG0046VI
Chemical Name:
Imidazo[2,1-b]quinazolin-5(10H)-one, 2,3-dihydro-10-(3-nitrophenyl)-
CAS Number:
88969-72-6
Molecular Formula:
C16H12N4O3
Molecular Weight:
308.2915
IUPAC Name:
10-(3-nitrophenyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one
InChI:
InChI=1S/C16H12N4O3/c21-15-13-6-1-2-7-14(13)19(16-17-8-9-18(15)16)11-4-3-5-12(10-11)20(22)23/h1-7,10H,8-9H2
InChI Key:
DGVAEKHIVMDZIR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)n1c2=NCCn2c(=O)c2c1cccc2
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.091g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.297g/mol
Monoisotopic Mass:
308.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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