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Home > Nitro Compounds > 96631-28-6
96631-28-6 | BENZENE, 2,4-DIETHOXY-1-NITRO-
CAS No: 96631-28-6 Catalog No: AG005T5A MDL No:
Product Description
Catalog Number:
AG005T5A
Chemical Name:
BENZENE, 2,4-DIETHOXY-1-NITRO-
CAS Number:
96631-28-6
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
IUPAC Name:
2,4-diethoxy-1-nitrobenzene
InChI:
InChI=1S/C10H13NO4/c1-3-14-8-5-6-9(11(12)13)10(7-8)15-4-2/h5-7H,3-4H2,1-2H3
InChI Key:
PPYXWVQHNXBQND-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)OCC)[N+](=O)[O-]
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
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