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81307-09-7 | 3-Methoxy-4-((4-nitrobenzyl)oxy)benzaldehyde
CAS No: 81307-09-7 Catalog No: AG008MP1 MDL No:MFCD00016711
Product Description
Catalog Number:
AG008MP1
Chemical Name:
3-Methoxy-4-((4-nitrobenzyl)oxy)benzaldehyde
CAS Number:
81307-09-7
Molecular Formula:
C15H13NO5
Molecular Weight:
287.2674
MDL Number:
MFCD00016711
IUPAC Name:
3-methoxy-4-[(4-nitrophenyl)methoxy]benzaldehyde
InChI:
InChI=1S/C15H13NO5/c1-20-15-8-12(9-17)4-7-14(15)21-10-11-2-5-13(6-3-11)16(18)19/h2-9H,10H2,1H3
InChI Key:
LBZHTZHIZXKRQK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)OC)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.271g/mol
Monoisotopic Mass:
287.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| 4-Meth-oxy-3-(4-nitro-benz-yloxy)benzaldehyde. | Acta crystallographica. Section E, Structure reports online 20110601 |
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