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Home > Nitro Compounds > 236750-63-3
236750-63-3 | 4,5-Diethoxy-2-nitrobenzonitrile
CAS No: 236750-63-3 Catalog No: AG00J9VM MDL No:MFCD03792673
Product Description
Catalog Number:
AG00J9VM
Chemical Name:
4,5-Diethoxy-2-nitrobenzonitrile
CAS Number:
236750-63-3
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
MDL Number:
MFCD03792673
IUPAC Name:
4,5-diethoxy-2-nitrobenzonitrile
InChI:
InChI=1S/C11H12N2O4/c1-3-16-10-5-8(7-12)9(13(14)15)6-11(10)17-4-2/h5-6H,3-4H2,1-2H3
InChI Key:
XJCCPKMYZZWRLS-UHFFFAOYSA-N
SMILES:
CCOc1cc([N+](=O)[O-])c(cc1OCC)C#N
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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