AG33010
5086-48-6 | 1,4-Bis(3-nitropyridin-2-yl)piperazine
Manufacturer: A2B Chem
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CatalogNumber
AG33010
ChemicalName
1,4-Bis(3-nitropyridin-2-yl)piperazine
CasNumber
5086-48-6
MolecularFormula
C14H14N6O4
MolecularWeight
330.2988
MdlNumber
MFCD02571723
Smiles
[O-][N+](=O)c1cccnc1N1CCN(CC1)c1ncccc1[N+](=O)[O-]
Complexity
417
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
8
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AG33010
ChemicalName: 1,4-Bis(3-nitropyridin-2-yl)piperazine
CasNumber: 5086-48-6
MolecularFormula: C14H14N6O4
MolecularWeight: 330.2988
MdlNumber: MFCD02571723
Smiles: [O-][N+](=O)c1cccnc1N1CCN(CC1)c1ncccc1[N+](=O)[O-]
Complexity: 417
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 8
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AG33010
ChemicalName:
1,4-Bis(3-nitropyridin-2-yl)piperazine
CasNumber:
5086-48-6
MolecularFormula:
C14H14N6O4
MolecularWeight:
330.2988
MdlNumber:
MFCD02571723
Smiles:
[O-][N+](=O)c1cccnc1N1CCN(CC1)c1ncccc1[N+](=O)[O-]
Complexity:
417
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
8
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: AG33011
ChemicalName: 6-Trifluoromethyl-1,4-dihydroquinoxaline-2,3-dione
CasNumber: 55687-31-5
MolecularFormula: C9H5F3N2O2
MolecularWeight: 230.1434
MdlNumber: MFCD00869382
Smiles: O=c1[nH]c2ccc(cc2[nH]c1=O)C(F)(F)F
Complexity: 329
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
AG33011
ChemicalName:
6-Trifluoromethyl-1,4-dihydroquinoxaline-2,3-dione
CasNumber:
55687-31-5
MolecularFormula:
C9H5F3N2O2
MolecularWeight:
230.1434
MdlNumber:
MFCD00869382
Smiles:
O=c1[nH]c2ccc(cc2[nH]c1=O)C(F)(F)F
Complexity:
329
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(c(c1)Br)CN1CCNCC1
Complexity: 197
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(c(c1)Br)CN1CCNCC1
Complexity:
197
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(cc1)n1c(C)ccc1C
Complexity: 177
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(cc1)n1c(C)ccc1C
Complexity:
177
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2