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Home > Nitro Compounds > 16281-65-5
16281-65-5 | 4H-1-Benzopyran-4-one, 2,3-dihydro-2-phenyl-, 2-(2,4-dinitrophenyl)hydrazone
CAS No: 16281-65-5 Catalog No: AG001TFR MDL No:
Product Description
Catalog Number:
AG001TFR
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-2-phenyl-, 2-(2,4-dinitrophenyl)hydrazone
CAS Number:
16281-65-5
Molecular Formula:
C21H16N4O5
Molecular Weight:
404.3755
IUPAC Name:
2,4-dinitro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline
InChI:
InChI=1S/C21H16N4O5/c26-24(27)15-10-11-17(19(12-15)25(28)29)22-23-18-13-21(14-6-2-1-3-7-14)30-20-9-5-4-8-16(18)20/h1-12,21-22H,13H2
InChI Key:
AVBFPPASPXEMCY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1NN=C1CC(Oc2c1cccc2)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.112g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.382g/mol
Monoisotopic Mass:
404.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.3
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