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Home > Aldehydes > 182322-39-0
182322-39-0 | Benzaldehyde, 2-(3,5-dimethoxyphenoxy)-5-nitro-
CAS No: 182322-39-0 Catalog No: AG0023MS MDL No:
Product Description
Catalog Number:
AG0023MS
Chemical Name:
Benzaldehyde, 2-(3,5-dimethoxyphenoxy)-5-nitro-
CAS Number:
182322-39-0
Molecular Formula:
C15H13NO6
Molecular Weight:
303.2668
IUPAC Name:
2-(3,5-dimethoxyphenoxy)-5-nitrobenzaldehyde
InChI:
InChI=1S/C15H13NO6/c1-20-12-6-13(21-2)8-14(7-12)22-15-4-3-11(16(18)19)5-10(15)9-17/h3-9H,1-2H3
InChI Key:
QNRPUYIPJQFJKZ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)OC)Oc1ccc(cc1C=O)[N+](=O)[O-]
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.074g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.27g/mol
Monoisotopic Mass:
303.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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