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Home > Nitro Compounds > 143909-00-6
143909-00-6 | 2,1,3-Benzoxadiazole, 4-nitro-7-(phenylmethyl)-
CAS No: 143909-00-6 Catalog No: AG001ILS MDL No:
Product Description
Catalog Number:
AG001ILS
Chemical Name:
2,1,3-Benzoxadiazole, 4-nitro-7-(phenylmethyl)-
CAS Number:
143909-00-6
Molecular Formula:
C13H9N3O3
Molecular Weight:
255.2289
IUPAC Name:
7-benzyl-4-nitro-2,1,3-benzoxadiazole
InChI:
InChI=1S/C13H9N3O3/c17-16(18)11-7-6-10(12-13(11)15-19-14-12)8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
XAVXYZFSLHOJMD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1non2)Cc1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.233g/mol
Monoisotopic Mass:
255.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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