AB52457
886779-69-7 | tert-Butyl 3-(trifluoromethyl)piperazine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB52457
ChemicalName
tert-Butyl 3-(trifluoromethyl)piperazine-1-carboxylate
CasNumber
886779-69-7
MolecularFormula
C10H17F3N2O2
MolecularWeight
254.2494
MdlNumber
MFCD08686626
Smiles
O=C(N1CCNC(C1)C(F)(F)F)OC(C)(C)C
Complexity
286
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AB52457
ChemicalName: tert-Butyl 3-(trifluoromethyl)piperazine-1-carboxylate
CasNumber: 886779-69-7
MolecularFormula: C10H17F3N2O2
MolecularWeight: 254.2494
MdlNumber: MFCD08686626
Smiles: O=C(N1CCNC(C1)C(F)(F)F)OC(C)(C)C
Complexity: 286
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AB52457
ChemicalName:
tert-Butyl 3-(trifluoromethyl)piperazine-1-carboxylate
CasNumber:
886779-69-7
MolecularFormula:
C10H17F3N2O2
MolecularWeight:
254.2494
MdlNumber:
MFCD08686626
Smiles:
O=C(N1CCNC(C1)C(F)(F)F)OC(C)(C)C
Complexity:
286
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
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Smiles: O=C(OC(C)(C)C)N[C@@H]1CNC[C@H]1C
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Smiles:
O=C(OC(C)(C)C)N[C@@H]1CNC[C@H]1C
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HeavyAtomCount:
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Smiles: COc1cc(ccc1[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1S(=O)(=O)[O-])S(=O)(=O)O)[N+](=O)[O-].[Na+]
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Smiles:
COc1cc(ccc1[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1S(=O)(=O)[O-])S(=O)(=O)O)[N+](=O)[O-].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: COc1ccccc1S(=O)(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccccc1S(=O)(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__