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Home > Nitro Compounds > 4992-63-6
4992-63-6 | 1,2-diethoxy-4-nitrobenzene
CAS No: 4992-63-6 Catalog No: AG00JGQS MDL No:MFCD00186132
Product Description
Catalog Number:
AG00JGQS
Chemical Name:
1,2-diethoxy-4-nitrobenzene
CAS Number:
4992-63-6
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
MDL Number:
MFCD00186132
IUPAC Name:
1,2-diethoxy-4-nitrobenzene
InChI:
InChI=1S/C10H13NO4/c1-3-14-9-6-5-8(11(12)13)7-10(9)15-4-2/h5-7H,3-4H2,1-2H3
InChI Key:
DTYUTSMRCQYVNW-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1OCC)[N+](=O)[O-]
EC Number:
610-485-6
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| N-(3,4-Diethoxy-phen-yl)acetamide. | Acta crystallographica. Section E, Structure reports online 20090601 |
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