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Home > Nitro Compounds > 100914-36-1
100914-36-1 | 4H-1-Benzopyran-4-one, 6-nitro-2-(3-nitrophenyl)-
CAS No: 100914-36-1 Catalog No: AG00036T MDL No:
Product Description
Catalog Number:
AG00036T
Chemical Name:
4H-1-Benzopyran-4-one, 6-nitro-2-(3-nitrophenyl)-
CAS Number:
100914-36-1
Molecular Formula:
C15H8N2O6
Molecular Weight:
312.2338
IUPAC Name:
6-nitro-2-(3-nitrophenyl)chromen-4-one
InChI:
InChI=1S/C15H8N2O6/c18-13-8-15(9-2-1-3-10(6-9)16(19)20)23-14-5-4-11(17(21)22)7-12(13)14/h1-8H
InChI Key:
CNVQMRWAJHEFGZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1cc(=O)c2c(o1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.038g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.237g/mol
Monoisotopic Mass:
312.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| 6,3'-Dinitroflavone is a low efficacy modulator of GABA(A) receptors. | European journal of pharmacology 20080904 |
| QSAR modeling of the interaction of flavonoids with GABA(A) receptor. | European journal of medicinal chemistry 20080801 |
| 3D-QSAR model of flavonoids binding at benzodiazepine site in GABAA receptors. | Journal of medicinal chemistry 20010607 |
| Structure-activity relationships and molecular modeling analysis of flavonoids binding to the benzodiazepine site of the rat brain GABA(A) receptor complex. | Journal of medicinal chemistry 19991021 |
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