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Home > Nitro Compounds > 13174-96-4
13174-96-4 | 1H-Benzotriazole, 1-(5-nitro-2-pyridinyl)-
CAS No: 13174-96-4 Catalog No: AG000ZNP MDL No:
Product Description
Catalog Number:
AG000ZNP
Chemical Name:
1H-Benzotriazole, 1-(5-nitro-2-pyridinyl)-
CAS Number:
13174-96-4
Molecular Formula:
C11H7N5O2
Molecular Weight:
241.2056
IUPAC Name:
1-(5-nitropyridin-2-yl)benzotriazole
InChI:
InChI=1S/C11H7N5O2/c17-16(18)8-5-6-11(12-7-8)15-10-4-2-1-3-9(10)13-14-15/h1-7H
InChI Key:
PPIGGSPZOUERAQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(nc1)n1nnc2c1cccc2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.06g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.21g/mol
Monoisotopic Mass:
241.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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