Home Aldehydes 3-((4-Nitrobenzyl)oxy)benzaldehyde

3-((4-Nitrobenzyl)oxy)benzaldehyde

CAS No.:
247089-42-5
Catalog Number:
AG002P4N
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
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Purity
Availability
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Price(USD)
Quantity
  
1g
95%
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United States
$129
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Product Description
Catalog Number:
AG002P4N
Chemical Name:
3-((4-Nitrobenzyl)oxy)benzaldehyde
CAS Number:
247089-42-5
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
MDL Number:
MFCD09970400
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
Properties