AB97233
886767-49-3 | 3-(4-Chlorophenyl)piperazine-1-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB97233
ChemicalName
3-(4-Chlorophenyl)piperazine-1-carboxylic acid tert-butyl ester
CasNumber
886767-49-3
MolecularFormula
C15H21ClN2O2
MolecularWeight
296.7924
MdlNumber
MFCD03840084
Smiles
O=C(N1CCNC(C1)c1ccc(cc1)Cl)OC(C)(C)C
Complexity
335
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.6
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CatalogNumber: AB97233
ChemicalName: 3-(4-Chlorophenyl)piperazine-1-carboxylic acid tert-butyl ester
CasNumber: 886767-49-3
MolecularFormula: C15H21ClN2O2
MolecularWeight: 296.7924
MdlNumber: MFCD03840084
Smiles: O=C(N1CCNC(C1)c1ccc(cc1)Cl)OC(C)(C)C
Complexity: 335
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.6
CatalogNumber:
AB97233
ChemicalName:
3-(4-Chlorophenyl)piperazine-1-carboxylic acid tert-butyl ester
CasNumber:
886767-49-3
MolecularFormula:
C15H21ClN2O2
MolecularWeight:
296.7924
MdlNumber:
MFCD03840084
Smiles:
O=C(N1CCNC(C1)c1ccc(cc1)Cl)OC(C)(C)C
Complexity:
335
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.6
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Smiles: Clc1cccc(c1)C1NCCN(C1)C(=O)OC(C)(C)C
Complexity: __
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Smiles:
Clc1cccc(c1)C1NCCN(C1)C(=O)OC(C)(C)C
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Smiles: NCC(Oc1cccnc1)C
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Smiles:
NCC(Oc1cccnc1)C
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Smiles: N#CCc1cc(ccc1Br)OC(F)(F)F
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N#CCc1cc(ccc1Br)OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__