AA98304
182618-86-6 | 1-BOC-4-(4-nitrophenyl)piperazine
Manufacturer: A2B Chem
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CatalogNumber
AA98304
ChemicalName
1-BOC-4-(4-nitrophenyl)piperazine
CasNumber
182618-86-6
MolecularFormula
C15H21N3O4
MolecularWeight
307.3449
MdlNumber
MFCD02187326
Smiles
O=C(N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity
400
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AA98304
ChemicalName: 1-BOC-4-(4-nitrophenyl)piperazine
CasNumber: 182618-86-6
MolecularFormula: C15H21N3O4
MolecularWeight: 307.3449
MdlNumber: MFCD02187326
Smiles: O=C(N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity: 400
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AA98304
ChemicalName:
1-BOC-4-(4-nitrophenyl)piperazine
CasNumber:
182618-86-6
MolecularFormula:
C15H21N3O4
MolecularWeight:
307.3449
MdlNumber:
MFCD02187326
Smiles:
O=C(N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity:
400
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
2.5
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Smiles: CCCCCCCCCCCCOc1cc(ccc1OCCCCCCCCCCCC)Nc1nc(nc(n1)Nc1ccc(c(c1)OCCCCCCCCCCCC)OCCCCCCCCCCCC)Nc1ccc(c(c1)OCCCCCCCCCCCC)OCCCCCCCCCCCC
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Smiles:
CCCCCCCCCCCCOc1cc(ccc1OCCCCCCCCCCCC)Nc1nc(nc(n1)Nc1ccc(c(c1)OCCCCCCCCCCCC)OCCCCCCCCCCCC)Nc1ccc(c(c1)OCCCCCCCCCCCC)OCCCCCCCCCCCC
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Smiles: CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)C.[Br-]
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Smiles:
CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)C.[Br-]
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Smiles: CCCCCCCCCCCCCCCC(=O)CC
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Smiles:
CCCCCCCCCCCCCCCC(=O)CC
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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