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Home > Aldehydes > 166904-09-2
166904-09-2 | Benzaldehyde, 3-methoxy-4-(4-nitrophenoxy)-
CAS No: 166904-09-2 Catalog No: AG001WZI MDL No:MFCD02105997
Product Description
Catalog Number:
AG001WZI
Chemical Name:
Benzaldehyde, 3-methoxy-4-(4-nitrophenoxy)-
CAS Number:
166904-09-2
Molecular Formula:
C14H11NO5
Molecular Weight:
273.2408
MDL Number:
MFCD02105997
IUPAC Name:
3-methoxy-4-(4-nitrophenoxy)benzaldehyde
InChI:
InChI=1S/C14H11NO5/c1-19-14-8-10(9-16)2-7-13(14)20-12-5-3-11(4-6-12)15(17)18/h2-9H,1H3
InChI Key:
RIXNXQQGIBEEIR-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)OC)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.244g/mol
Monoisotopic Mass:
273.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| 3-Methoxy-4-(4-nitro-benz-yloxy)-benzaldehyde. | Acta crystallographica. Section E, Structure reports online 20081201 |
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