AE81519
154590-35-9 | 4-(4-Boc-piperazin-1-yl)-3-fluoroaniline
Manufacturer: A2B Chem
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CatalogNumber
AE81519
ChemicalName
4-(4-Boc-piperazin-1-yl)-3-fluoroaniline
CasNumber
154590-35-9
MolecularFormula
C15H22FN3O2
MolecularWeight
295.3525
MdlNumber
MFCD08443960
Smiles
Nc1ccc(c(c1)F)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity
364
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AE81519
ChemicalName: 4-(4-Boc-piperazin-1-yl)-3-fluoroaniline
CasNumber: 154590-35-9
MolecularFormula: C15H22FN3O2
MolecularWeight: 295.3525
MdlNumber: MFCD08443960
Smiles: Nc1ccc(c(c1)F)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 364
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AE81519
ChemicalName:
4-(4-Boc-piperazin-1-yl)-3-fluoroaniline
CasNumber:
154590-35-9
MolecularFormula:
C15H22FN3O2
MolecularWeight:
295.3525
MdlNumber:
MFCD08443960
Smiles:
Nc1ccc(c(c1)F)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
364
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
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Smiles: CC(Oc1ccc(cc1F)c1nn(c2c1c(N)ncn2)[C@H](c1oc2ccc(cc2c(=O)c1c1cccc(c1)F)F)C)C.Cl
Complexity: __
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Smiles:
CC(Oc1ccc(cc1F)c1nn(c2c1c(N)ncn2)[C@H](c1oc2ccc(cc2c(=O)c1c1cccc(c1)F)F)C)C.Cl
Complexity:
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Xlogp3:
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Smiles: CNc1nc(N)nc(c1)c1cccc(c1Cl)Cl
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Smiles:
CNc1nc(N)nc(c1)c1cccc(c1Cl)Cl
Complexity:
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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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Smiles: CNc1nc(N)nc(c1)c1cccc(c1Cl)Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CNc1nc(N)nc(c1)c1cccc(c1Cl)Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__