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85078-28-0 | 1-ethoxy-4-[2-nitro-1-(4-propoxyphenyl)ethyl]benzene
CAS No: 85078-28-0 Catalog No: AG004OON MDL No:
Product Description
Catalog Number:
AG004OON
Chemical Name:
1-ethoxy-4-[2-nitro-1-(4-propoxyphenyl)ethyl]benzene
CAS Number:
85078-28-0
Molecular Formula:
C19H23NO4
Molecular Weight:
329.3902
IUPAC Name:
1-ethoxy-4-[2-nitro-1-(4-propoxyphenyl)ethyl]benzene
InChI:
InChI=1S/C19H23NO4/c1-3-13-24-18-11-7-16(8-12-18)19(14-20(21)22)15-5-9-17(10-6-15)23-4-2/h5-12,19H,3-4,13-14H2,1-2H3
InChI Key:
KXMTYDLYAOOSDP-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)C(c1ccc(cc1)OCC)C[N+](=O)[O-]
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.396g/mol
Monoisotopic Mass:
329.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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