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Home > Nitro Compounds > 2059975-87-8
2059975-87-8 | 5-ethoxy-3-methyl-2-nitrobenzonitrile
CAS No: 2059975-87-8 Catalog No: AG01BW86 MDL No:MFCD30476876
Product Description
Catalog Number:
AG01BW86
Chemical Name:
5-ethoxy-3-methyl-2-nitrobenzonitrile
CAS Number:
2059975-87-8
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD30476876
IUPAC Name:
5-ethoxy-3-methyl-2-nitrobenzonitrile
InChI:
InChI=1S/C10H10N2O3/c1-3-15-9-4-7(2)10(12(13)14)8(5-9)6-11/h4-5H,3H2,1-2H3
InChI Key:
HBPPDNBBKVKAQL-UHFFFAOYSA-N
SMILES:
CCOc1cc(C)c(c(c1)C#N)[N+](=O)[O-]
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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