AC97807
694499-24-6 | 1-Methyl-4-(4-nitro-2-(trifluoromethyl)benzyl)piperazine
Manufacturer: A2B Chem
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CatalogNumber
AC97807
ChemicalName
1-Methyl-4-(4-nitro-2-(trifluoromethyl)benzyl)piperazine
CasNumber
694499-24-6
MolecularFormula
C13H16F3N3O2
MolecularWeight
303.2802
MdlNumber
MFCD16658807
Smiles
CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Complexity
365
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
7
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AC97807
ChemicalName: 1-Methyl-4-(4-nitro-2-(trifluoromethyl)benzyl)piperazine
CasNumber: 694499-24-6
MolecularFormula: C13H16F3N3O2
MolecularWeight: 303.2802
MdlNumber: MFCD16658807
Smiles: CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Complexity: 365
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 7
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AC97807
ChemicalName:
1-Methyl-4-(4-nitro-2-(trifluoromethyl)benzyl)piperazine
CasNumber:
694499-24-6
MolecularFormula:
C13H16F3N3O2
MolecularWeight:
303.2802
MdlNumber:
MFCD16658807
Smiles:
CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Complexity:
365
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
7
RotatableBondCount:
2
Xlogp3:
2.3
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Smiles: C[C@@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F.Cl
Complexity: __
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Smiles:
C[C@@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F.Cl
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Smiles: NCCc1ccc(cc1)[N+](=O)[O-].Br
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Smiles:
NCCc1ccc(cc1)[N+](=O)[O-].Br
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Smiles: CC(CCCCCCCCCCCCCCC(=O)O)C.CCC(CO)(CO)CO.[Ti]
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Smiles:
CC(CCCCCCCCCCCCCCC(=O)O)C.CCC(CO)(CO)CO.[Ti]
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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