AI53299
59507-46-9 | 1-[(3-Nitrophenyl)methyl]piperidine
Manufacturer: A2B Chem
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CatalogNumber
AI53299
ChemicalName
1-[(3-Nitrophenyl)methyl]piperidine
CasNumber
59507-46-9
MolecularFormula
C12H16N2O2
MolecularWeight
220.2676
MdlNumber
MFCD27926048
Smiles
[O-][N+](=O)c1cccc(c1)CN1CCCCC1
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AI53299
ChemicalName: 1-[(3-Nitrophenyl)methyl]piperidine
CasNumber: 59507-46-9
MolecularFormula: C12H16N2O2
MolecularWeight: 220.2676
MdlNumber: MFCD27926048
Smiles: [O-][N+](=O)c1cccc(c1)CN1CCCCC1
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AI53299
ChemicalName:
1-[(3-Nitrophenyl)methyl]piperidine
CasNumber:
59507-46-9
MolecularFormula:
C12H16N2O2
MolecularWeight:
220.2676
MdlNumber:
MFCD27926048
Smiles:
[O-][N+](=O)c1cccc(c1)CN1CCCCC1
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1cc(Cl)c2c([nH]1)nccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1cc(Cl)c2c([nH]1)nccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC(C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
Complexity: 345
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC(C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
Complexity:
345
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1ccc(cc1)C(C)(C)C.Cl
Complexity: 126
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1ccc(cc1)C(C)(C)C.Cl
Complexity:
126
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__