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Home > Nitro Compounds > 866153-28-8
866153-28-8 | 2-[4-(3-nitropyridin-2-yl)piperazin-1-yl]pyrimidine
CAS No: 866153-28-8 Catalog No: AG00IZU3 MDL No:MFCD05669467
Product Description
Catalog Number:
AG00IZU3
Chemical Name:
2-[4-(3-nitropyridin-2-yl)piperazin-1-yl]pyrimidine
CAS Number:
866153-28-8
Molecular Formula:
C13H14N6O2
Molecular Weight:
286.2893
MDL Number:
MFCD05669467
IUPAC Name:
2-[4-(3-nitropyridin-2-yl)piperazin-1-yl]pyrimidine
InChI:
InChI=1S/C13H14N6O2/c20-19(21)11-3-1-4-14-12(11)17-7-9-18(10-8-17)13-15-5-2-6-16-13/h1-6H,7-10H2
InChI Key:
VKFFQNULBPSBTD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccnc1N1CCN(CC1)c1ncccn1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.118g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.295g/mol
Monoisotopic Mass:
286.118g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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