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Home > Nitro Compounds > 89898-92-0
89898-92-0 | 2-(2-Nitrophenyl)-1,3,4-oxadiazole
CAS No: 89898-92-0 Catalog No: AG00IFVL MDL No:MFCD09755523
Product Description
Catalog Number:
AG00IFVL
Chemical Name:
2-(2-Nitrophenyl)-1,3,4-oxadiazole
CAS Number:
89898-92-0
Molecular Formula:
C8H5N3O3
Molecular Weight:
191.1436
MDL Number:
MFCD09755523
IUPAC Name:
2-(2-nitrophenyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C8H5N3O3/c12-11(13)7-4-2-1-3-6(7)8-10-9-5-14-8/h1-5H
InChI Key:
WXKRXSFMMMXAKR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1c1nnco1
Properties
Complexity:
218
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:
1.2
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