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Home > Nitro Compounds > 83725-80-8
83725-80-8 | 1,3,4-Oxadiazol-2(3H)-one, 5-(3-nitrophenyl)-
CAS No: 83725-80-8 Catalog No: AG00IDBH MDL No:MFCD19288871
Product Description
Catalog Number:
AG00IDBH
Chemical Name:
1,3,4-Oxadiazol-2(3H)-one, 5-(3-nitrophenyl)-
CAS Number:
83725-80-8
Molecular Formula:
C8H5N3O4
Molecular Weight:
207.1430
MDL Number:
MFCD19288871
IUPAC Name:
5-(3-nitrophenyl)-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C8H5N3O4/c12-8-10-9-7(15-8)5-2-1-3-6(4-5)11(13)14/h1-4H,(H,10,12)
InChI Key:
MVNRZPOCXZUMNP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1n[nH]c(=O)o1
Properties
Complexity:
322
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:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.145g/mol
Monoisotopic Mass:
207.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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