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Home > Nitro Compounds > 29669-41-8
29669-41-8 | Benzonitrile, 2-ethoxy-5-nitro-
CAS No: 29669-41-8 Catalog No: AG002Z15 MDL No:MFCD02256084
Product Description
Catalog Number:
AG002Z15
Chemical Name:
Benzonitrile, 2-ethoxy-5-nitro-
CAS Number:
29669-41-8
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD02256084
IUPAC Name:
2-ethoxy-5-nitrobenzonitrile
InChI:
InChI=1S/C9H8N2O3/c1-2-14-9-4-3-8(11(12)13)5-7(9)6-10/h3-5H,2H2,1H3
InChI Key:
QNHGKWZNRFNTDJ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1C#N)[N+](=O)[O-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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