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15962-63-7 | Benzaldehyde, 4-(4-methoxyphenoxy)-3-nitro-
CAS No: 15962-63-7 Catalog No: AG001R8W MDL No:MFCD03964566
Product Description
Catalog Number:
AG001R8W
Chemical Name:
Benzaldehyde, 4-(4-methoxyphenoxy)-3-nitro-
CAS Number:
15962-63-7
Molecular Formula:
C14H11NO5
Molecular Weight:
273.2408
MDL Number:
MFCD03964566
IUPAC Name:
4-(4-methoxyphenoxy)-3-nitrobenzaldehyde
InChI:
InChI=1S/C14H11NO5/c1-19-11-3-5-12(6-4-11)20-14-7-2-10(9-16)8-13(14)15(17)18/h2-9H,1H3
InChI Key:
BCNMFOKLPNNNQF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])C=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:
2.8
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