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Home > Nitro Compounds > 138320-95-3
138320-95-3 | 1,2,4-Oxadiazol-5(2H)-one, 2-(3-nitrophenyl)-
CAS No: 138320-95-3 Catalog No: AG0018K5 MDL No:
Product Description
Catalog Number:
AG0018K5
Chemical Name:
1,2,4-Oxadiazol-5(2H)-one, 2-(3-nitrophenyl)-
CAS Number:
138320-95-3
Molecular Formula:
C8H5N3O4
Molecular Weight:
207.1430
IUPAC Name:
2-(3-nitrophenyl)-1,2,4-oxadiazol-5-one
InChI:
InChI=1S/C8H5N3O4/c12-8-9-5-10(15-8)6-2-1-3-7(4-6)11(13)14/h1-5H
InChI Key:
ZIJOLQIYPQQZML-UHFFFAOYSA-N
SMILES:
O=c1ncn(o1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.145g/mol
Monoisotopic Mass:
207.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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