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Home > Nitro Compounds > 136366-43-3
136366-43-3 | 4-Ethoxy-3-nitrobenzonitrile
CAS No: 136366-43-3 Catalog No: AG00HULM MDL No:MFCD13704359
Product Description
Catalog Number:
AG00HULM
Chemical Name:
4-Ethoxy-3-nitrobenzonitrile
CAS Number:
136366-43-3
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD13704359
IUPAC Name:
4-ethoxy-3-nitrobenzonitrile
InChI:
InChI=1S/C9H8N2O3/c1-2-14-9-4-3-7(6-10)5-8(9)11(12)13/h3-5H,2H2,1H3
InChI Key:
XDCQTSACCVHBIC-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1[N+](=O)[O-])C#N
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:
2.2
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