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Home > Nitro Compounds > 1017117-48-4
1017117-48-4 | 3-(3-nitrophenyl)-6-(piperazin-1-yl)pyridazine
CAS No: 1017117-48-4 Catalog No: AG00JSTO MDL No:MFCD09881910
Product Description
Catalog Number:
AG00JSTO
Chemical Name:
3-(3-nitrophenyl)-6-(piperazin-1-yl)pyridazine
CAS Number:
1017117-48-4
Molecular Formula:
C14H15N5O2
Molecular Weight:
285.3012
MDL Number:
MFCD09881910
IUPAC Name:
3-(3-nitrophenyl)-6-piperazin-1-ylpyridazine
InChI:
InChI=1S/C14H15N5O2/c20-19(21)12-3-1-2-11(10-12)13-4-5-14(17-16-13)18-8-6-15-7-9-18/h1-5,10,15H,6-9H2
InChI Key:
MLGMDDICIVYXHD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1ccc(nn1)N1CCNCC1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.123g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.307g/mol
Monoisotopic Mass:
285.123g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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