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Home > Nitro Compounds > 88307-66-8
88307-66-8 | Phenol, 2-[[[2-(3,4-dimethoxyphenyl)ethyl]imino]methyl]-4-nitro-
CAS No: 88307-66-8 Catalog No: AG0048OK MDL No:
Product Description
Catalog Number:
AG0048OK
Chemical Name:
Phenol, 2-[[[2-(3,4-dimethoxyphenyl)ethyl]imino]methyl]-4-nitro-
CAS Number:
88307-66-8
Molecular Formula:
C17H18N2O5
Molecular Weight:
330.3352
IUPAC Name:
2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-4-nitrophenol
InChI:
InChI=1S/C17H18N2O5/c1-23-16-6-3-12(9-17(16)24-2)7-8-18-11-13-10-14(19(21)22)4-5-15(13)20/h3-6,9-11,20H,7-8H2,1-2H3
InChI Key:
GABXBLYWWHQTAO-UHFFFAOYSA-N
SMILES:
COc1cc(CCN=Cc2cc(ccc2O)[N+](=O)[O-])ccc1OC
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.122g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.34g/mol
Monoisotopic Mass:
330.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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