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2904-62-3 | Benzonitrile, 2,6-dichloro-, N-oxide
CAS No: 2904-62-3 Catalog No: AG002VBL MDL No:
Product Description
Catalog Number:
AG002VBL
Chemical Name:
Benzonitrile, 2,6-dichloro-, N-oxide
CAS Number:
2904-62-3
Molecular Formula:
C7H3Cl2NO
Molecular Weight:
188.0108
IUPAC Name:
2,6-dichlorobenzonitrile oxide
InChI:
InChI=1S/C7H3Cl2NO/c8-6-2-1-3-7(9)5(6)4-10-11/h1-3H
InChI Key:
XACGZMBUDCYGPB-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1C#[N+][O-])Cl
EC Number:
220-805-2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.959g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.007g/mol
Monoisotopic Mass:
186.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| 1,3-Dipolar cycloaddition of 2,6-dichlorobenzonitrile oxide to 2-methyl-N-confused porphyrin. Regio- and stereoselective synthesis and structural characterization of 2-aza-21-carbabacteriochlorin and resolution of 2-aza-21-carbachlorin enantiomers. | The Journal of organic chemistry 20120302 |
| 1'-Benzyl-4,4''-bis-(4-chloro-phen-yl)-3-(2,6-dichloro-phen-yl)-1''-methyl-4,5-dihydro-isoxazole-5-spiro-3'-piperidine-5'-spiro-3''-pyrrolidine-2''-spiro-3'''-indoline-2''',4'-dione. | Acta crystallographica. Section E, Structure reports online 20100101 |
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