AF88012
352651-56-0 | 1-(3-Methoxy-4-nitrophenyl)piperidine
Manufacturer: A2B Chem
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CatalogNumber
AF88012
ChemicalName
1-(3-Methoxy-4-nitrophenyl)piperidine
CasNumber
352651-56-0
MolecularFormula
C12H16N2O3
MolecularWeight
236.267
MdlNumber
MFCD01471565
Smiles
COc1cc(ccc1[N+](=O)[O-])N1CCCCC1
Complexity
261
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AF88012
ChemicalName: 1-(3-Methoxy-4-nitrophenyl)piperidine
CasNumber: 352651-56-0
MolecularFormula: C12H16N2O3
MolecularWeight: 236.267
MdlNumber: MFCD01471565
Smiles: COc1cc(ccc1[N+](=O)[O-])N1CCCCC1
Complexity: 261
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AF88012
ChemicalName:
1-(3-Methoxy-4-nitrophenyl)piperidine
CasNumber:
352651-56-0
MolecularFormula:
C12H16N2O3
MolecularWeight:
236.267
MdlNumber:
MFCD01471565
Smiles:
COc1cc(ccc1[N+](=O)[O-])N1CCCCC1
Complexity:
261
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNC(=O)[C@@H](NC(=O)OCc1ccccc1)C
Complexity: 263
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNC(=O)[C@@H](NC(=O)OCc1ccccc1)C
Complexity:
263
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.2
CatalogNumber: AF88016
ChemicalName: 7-Methyl-2,4-dihydro-1,4-benzoxazin-3-one
CasNumber: 39522-25-3
MolecularFormula: C9H9NO2
MolecularWeight: 163.1733
MdlNumber: MFCD03019817
Smiles: O=C1COc2c(N1)ccc(c2)C
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
AF88016
ChemicalName:
7-Methyl-2,4-dihydro-1,4-benzoxazin-3-one
CasNumber:
39522-25-3
MolecularFormula:
C9H9NO2
MolecularWeight:
163.1733
MdlNumber:
MFCD03019817
Smiles:
O=C1COc2c(N1)ccc(c2)C
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC(N1C(=O)c2c(C1=O)cccc2)C(=O)OC
Complexity: 357
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC(N1C(=O)c2c(C1=O)cccc2)C(=O)OC
Complexity:
357
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.2