AB07205
197569-11-2 | tert-Butyl 4-(cyanomethylidene)piperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB07205
ChemicalName
tert-Butyl 4-(cyanomethylidene)piperidine-1-carboxylate
CasNumber
197569-11-2
MolecularFormula
C12H18N2O2
MolecularWeight
222.2835
MdlNumber
MFCD03695496
Smiles
N#CC=C1CCN(CC1)C(=O)OC(C)(C)C
Complexity
334
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.2
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CatalogNumber: AB07205
ChemicalName: tert-Butyl 4-(cyanomethylidene)piperidine-1-carboxylate
CasNumber: 197569-11-2
MolecularFormula: C12H18N2O2
MolecularWeight: 222.2835
MdlNumber: MFCD03695496
Smiles: N#CC=C1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 334
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.2
CatalogNumber:
AB07205
ChemicalName:
tert-Butyl 4-(cyanomethylidene)piperidine-1-carboxylate
CasNumber:
197569-11-2
MolecularFormula:
C12H18N2O2
MolecularWeight:
222.2835
MdlNumber:
MFCD03695496
Smiles:
N#CC=C1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
334
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc(C(=O)O)c(c(c1F)F)F
Complexity: 282
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cc(C(=O)O)c(c(c1F)F)F
Complexity:
282
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.6
CatalogNumber: AB07212
ChemicalName: tert-Butyl 4-nitrobenzoate
CasNumber: 19756-72-0
MolecularFormula: C11H13NO4
MolecularWeight: 223.2252
MdlNumber: MFCD00969412
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AB07212
ChemicalName:
tert-Butyl 4-nitrobenzoate
CasNumber:
19756-72-0
MolecularFormula:
C11H13NO4
MolecularWeight:
223.2252
MdlNumber:
MFCD00969412
Smiles:
O=C(c1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(CC)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(CC)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__