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Home > Nitro Compounds > 16013-14-2
16013-14-2 | 1,2,4-Oxadiazole, 3-(4-nitrophenyl)-
CAS No: 16013-14-2 Catalog No: AG001RPH MDL No:MFCD00274808
Product Description
Catalog Number:
AG001RPH
Chemical Name:
1,2,4-Oxadiazole, 3-(4-nitrophenyl)-
CAS Number:
16013-14-2
Molecular Formula:
C8H5N3O3
Molecular Weight:
191.1436
MDL Number:
MFCD00274808
IUPAC Name:
3-(4-nitrophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C8H5N3O3/c12-11(13)7-3-1-6(2-4-7)8-9-5-14-10-8/h1-5H
InChI Key:
KWOHXJCKLMGBFD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1nocn1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.146g/mol
Monoisotopic Mass:
191.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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