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Home > Nitro Compounds > 19932-97-9
19932-97-9 | 3-(4-nitrophenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one
CAS No: 19932-97-9 Catalog No: AG01A8XH MDL No:MFCD12815747
Product Description
Catalog Number:
AG01A8XH
Chemical Name:
3-(4-nitrophenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one
CAS Number:
19932-97-9
Molecular Formula:
C8H5N3O4
Molecular Weight:
207.1430
MDL Number:
MFCD12815747
IUPAC Name:
3-(4-nitrophenyl)-4H-1,2,4-oxadiazol-5-one
InChI:
InChI=1S/C8H5N3O4/c12-8-9-7(10-15-8)5-1-3-6(4-2-5)11(13)14/h1-4H,(H,9,10,12)
InChI Key:
PEVIRNTUXQYRDH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1noc(=O)[nH]1
Properties
Complexity:
314
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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