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Home > Nitro Compounds > 83406-08-0
83406-08-0 | 3(2H)-Benzofuranone, 2-[(4-nitrophenyl)methylene]-
CAS No: 83406-08-0 Catalog No: AG0054L5 MDL No:
Product Description
Catalog Number:
AG0054L5
Chemical Name:
3(2H)-Benzofuranone, 2-[(4-nitrophenyl)methylene]-
CAS Number:
83406-08-0
Molecular Formula:
C15H9NO4
Molecular Weight:
267.2363
IUPAC Name:
2-[(4-nitrophenyl)methylidene]-1-benzofuran-3-one
InChI:
InChI=1S/C15H9NO4/c17-15-12-3-1-2-4-13(12)20-14(15)9-10-5-7-11(8-6-10)16(18)19/h1-9H
InChI Key:
COFNVBBKFBBSGE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C=C1Oc2c(C1=O)cccc2
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.053g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.24g/mol
Monoisotopic Mass:
267.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| (Z)-2-(4-Nitro-benzyl-idene)-1-benzofuran-3(2H)-one. | Acta crystallographica. Section E, Structure reports online 20111101 |
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