AB03204
183622-36-8 | 1-N-Boc-4-(3-carboxy-4-nitrophenyl)piperazine
Manufacturer: A2B Chem
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CatalogNumber
AB03204
ChemicalName
1-N-Boc-4-(3-carboxy-4-nitrophenyl)piperazine
CasNumber
183622-36-8
MolecularFormula
C16H21N3O6
MolecularWeight
351.3544
MdlNumber
MFCD09878788
Smiles
O=C(N1CCN(CC1)c1ccc(c(c1)C(=O)O)[N+](=O)[O-])OC(C)(C)C
Complexity
519
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AB03204
ChemicalName: 1-N-Boc-4-(3-carboxy-4-nitrophenyl)piperazine
CasNumber: 183622-36-8
MolecularFormula: C16H21N3O6
MolecularWeight: 351.3544
MdlNumber: MFCD09878788
Smiles: O=C(N1CCN(CC1)c1ccc(c(c1)C(=O)O)[N+](=O)[O-])OC(C)(C)C
Complexity: 519
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AB03204
ChemicalName:
1-N-Boc-4-(3-carboxy-4-nitrophenyl)piperazine
CasNumber:
183622-36-8
MolecularFormula:
C16H21N3O6
MolecularWeight:
351.3544
MdlNumber:
MFCD09878788
Smiles:
O=C(N1CCN(CC1)c1ccc(c(c1)C(=O)O)[N+](=O)[O-])OC(C)(C)C
Complexity:
519
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: AB03205
ChemicalName: 2-Nitro-5-piperazin-1-yl-benzoic acid
CasNumber: 183622-35-7
MolecularFormula: C11H13N3O4
MolecularWeight: 251.2386
MdlNumber: MFCD09991733
Smiles: OC(=O)c1cc(ccc1[N+](=O)[O-])N1CCNCC1
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -1.3
CatalogNumber:
AB03205
ChemicalName:
2-Nitro-5-piperazin-1-yl-benzoic acid
CasNumber:
183622-35-7
MolecularFormula:
C11H13N3O4
MolecularWeight:
251.2386
MdlNumber:
MFCD09991733
Smiles:
OC(=O)c1cc(ccc1[N+](=O)[O-])N1CCNCC1
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-1.3
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Smiles: CC(=O)c1cnc2c(c1)scc2
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Smiles: CC(N1CC1c1ccccc1)(C)C
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Smiles:
CC(N1CC1c1ccccc1)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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