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Home > Nitro Compounds > 138721-71-8
138721-71-8 | 2,1,3-Benzoxadiazole, nitro-
CAS No: 138721-71-8 Catalog No: AG0019FI MDL No:
Product Description
Catalog Number:
AG0019FI
Chemical Name:
2,1,3-Benzoxadiazole, nitro-
CAS Number:
138721-71-8
Molecular Formula:
C6H3N3O3
Molecular Weight:
165.1063
IUPAC Name:
4-nitro-2,1,3-benzoxadiazole
InChI:
InChI=1S/C6H3N3O3/c10-9(11)5-3-1-2-4-6(5)8-12-7-4/h1-3H
InChI Key:
ZCVAGTPWBAZXAL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1non2
NSC Number:
243136
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.108g/mol
Monoisotopic Mass:
165.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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