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Home > Aldehydes > 247089-42-5
247089-42-5 | Benzaldehyde, 3-[(4-nitrophenyl)methoxy]-
CAS No: 247089-42-5 Catalog No: AG002P4N MDL No:MFCD00621695
Product Description
Catalog Number:
AG002P4N
Chemical Name:
Benzaldehyde, 3-[(4-nitrophenyl)methoxy]-
CAS Number:
247089-42-5
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
MDL Number:
MFCD00621695
IUPAC Name:
3-[(4-nitrophenyl)methoxy]benzaldehyde
InChI:
InChI=1S/C14H11NO4/c16-9-12-2-1-3-14(8-12)19-10-11-4-6-13(7-5-11)15(17)18/h1-9H,10H2
InChI Key:
GMZGJTDCLVLLQA-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)OCc1ccc(cc1)[N+](=O)[O-]
NSC Number:
211352
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.245g/mol
Monoisotopic Mass:
257.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| (E)-1,5-Dimethyl-4-[3-(4-nitro-benz-yloxy)benzyl-ideneamino]-2-phenyl-1H-pyrazol-3(2H)-one. | Acta crystallographica. Section E, Structure reports online 20081101 |
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