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873-67-6 | Benzonitrile, N-oxide
CAS No: 873-67-6 Catalog No: AG004NUG MDL No:
Product Description
Catalog Number:
AG004NUG
Chemical Name:
Benzonitrile, N-oxide
CAS Number:
873-67-6
Molecular Formula:
C7H5NO
Molecular Weight:
119.1207
IUPAC Name:
benzonitrile oxide
InChI:
InChI=1S/C7H5NO/c9-8-6-7-4-2-1-3-5-7/h1-5H
InChI Key:
QUNPTMGXSSDZHZ-UHFFFAOYSA-N
SMILES:
[O-][N+]#Cc1ccccc1
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.037g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.123g/mol
Monoisotopic Mass:
119.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| The reactivity of phosphagermaallene Tip(t-Bu)Ge=C=PMes* with doubly and triply bonded nitrogen compounds. | Inorganic chemistry 20101115 |
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