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Home > Nitro Compounds > 68118-47-8
68118-47-8 | 4-nitro-2-(pyridin-2-yl)-1H-1,3-benzodiazole
CAS No: 68118-47-8 Catalog No: AG01A67G MDL No:MFCD25970298
Product Description
Catalog Number:
AG01A67G
Chemical Name:
4-nitro-2-(pyridin-2-yl)-1H-1,3-benzodiazole
CAS Number:
68118-47-8
Molecular Formula:
C12H8N4O2
Molecular Weight:
240.2175
MDL Number:
MFCD25970298
IUPAC Name:
4-nitro-2-pyridin-2-yl-1H-benzimidazole
InChI:
InChI=1S/C12H8N4O2/c17-16(18)10-6-3-5-8-11(10)15-12(14-8)9-4-1-2-7-13-9/h1-7H,(H,14,15)
InChI Key:
BPAFANIUHDELSR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1nc([nH]2)c1ccccn1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.065g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.222g/mol
Monoisotopic Mass:
240.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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