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Home > Nitro Compounds > 76016-68-7
76016-68-7 | 3-nitro-4-phenyl-1,2,5-oxadiazole
CAS No: 76016-68-7 Catalog No: AG01EXB0 MDL No:
Product Description
Catalog Number:
AG01EXB0
Chemical Name:
3-nitro-4-phenyl-1,2,5-oxadiazole
CAS Number:
76016-68-7
Molecular Formula:
C8H5N3O3
Molecular Weight:
191.1436
IUPAC Name:
3-nitro-4-phenyl-1,2,5-oxadiazole
InChI:
InChI=1S/C8H5N3O3/c12-11(13)8-7(9-14-10-8)6-4-2-1-3-5-6/h1-5H
InChI Key:
BYHHKBZPGQFDKM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nonc1c1ccccc1
Properties
Complexity:
212
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:
2.6
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