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Home > Nitro Compounds > 16597-10-7
16597-10-7 | 2,1,3-Benzoxadiazole, 4-nitro-7-phenoxy-
CAS No: 16597-10-7 Catalog No: AG001WG5 MDL No:
Product Description
Catalog Number:
AG001WG5
Chemical Name:
2,1,3-Benzoxadiazole, 4-nitro-7-phenoxy-
CAS Number:
16597-10-7
Molecular Formula:
C12H7N3O4
Molecular Weight:
257.2017
IUPAC Name:
7-nitro-4-phenoxy-2,1,3-benzoxadiazole
InChI:
InChI=1S/C12H7N3O4/c16-15(17)9-6-7-10(12-11(9)13-19-14-12)18-8-4-2-1-3-5-8/h1-7H
InChI Key:
BEFCWWATKVSQNB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1non2)Oc1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.205g/mol
Monoisotopic Mass:
257.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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