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82775-80-2 | 1,2,5-Oxadiazole, 3-chloro-4-phenyl-, 5-oxide
CAS No: 82775-80-2 Catalog No: AG0056JS MDL No:
Product Description
Catalog Number:
AG0056JS
Chemical Name:
1,2,5-Oxadiazole, 3-chloro-4-phenyl-, 5-oxide
CAS Number:
82775-80-2
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
IUPAC Name:
4-chloro-2-oxido-3-phenyl-1,2,5-oxadiazol-2-ium
InChI:
InChI=1S/C8H5ClN2O2/c9-8-7(11(12)13-10-8)6-4-2-1-3-5-6/h1-5H
InChI Key:
ZEJRRMALRXALHS-UHFFFAOYSA-N
SMILES:
Clc1no[n+](c1c1ccccc1)[O-]
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.004g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.59g/mol
Monoisotopic Mass:
196.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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