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122779-56-0

122779-56-0 | 1-Naphthalenecarboxaldehyde, 2-(2,4-dinitrophenoxy)-

CAS No: 122779-56-0 Catalog No: AG000JGR MDL No:

Product Description

Catalog Number:
AG000JGR
Chemical Name:
1-Naphthalenecarboxaldehyde, 2-(2,4-dinitrophenoxy)-
CAS Number:
122779-56-0
Molecular Formula:
C17H10N2O6
Molecular Weight:
338.2711
IUPAC Name:
2-(2,4-dinitrophenoxy)naphthalene-1-carbaldehyde
InChI:
InChI=1S/C17H10N2O6/c20-10-14-13-4-2-1-3-11(13)5-7-16(14)25-17-8-6-12(18(21)22)9-15(17)19(23)24/h1-10H
InChI Key:
DWLBZEMNWFGUMQ-UHFFFAOYSA-N
SMILES:
O=Cc1c(ccc2c1cccc2)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

Properties

Complexity:
516  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.054g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.275g/mol
Monoisotopic Mass:
338.054g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

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