AB73797
80518-57-6 | 4-(Piperazin-1-yl)-benzoic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB73797
ChemicalName
4-(Piperazin-1-yl)-benzoic acid ethyl ester
CasNumber
80518-57-6
MolecularFormula
C13H18N2O2
MolecularWeight
234.29422000000008
MdlNumber
MFCD04973340
Smiles
CCOC(=O)c1ccc(cc1)N1CCNCC1
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.4
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CatalogNumber: AB73797
ChemicalName: 4-(Piperazin-1-yl)-benzoic acid ethyl ester
CasNumber: 80518-57-6
MolecularFormula: C13H18N2O2
MolecularWeight: 234.29422000000008
MdlNumber: MFCD04973340
Smiles: CCOC(=O)c1ccc(cc1)N1CCNCC1
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.4
CatalogNumber:
AB73797
ChemicalName:
4-(Piperazin-1-yl)-benzoic acid ethyl ester
CasNumber:
80518-57-6
MolecularFormula:
C13H18N2O2
MolecularWeight:
234.29422000000008
MdlNumber:
MFCD04973340
Smiles:
CCOC(=O)c1ccc(cc1)N1CCNCC1
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.4
CatalogNumber: AB73798
ChemicalName: Ethyl 4-(trifluoromethyl)benzoate
CasNumber: 583-02-8
MolecularFormula: C10H9F3O2
MolecularWeight: 218.1725
MdlNumber: MFCD00013563
Smiles: CCOC(=O)c1ccc(cc1)C(F)(F)F
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AB73798
ChemicalName:
Ethyl 4-(trifluoromethyl)benzoate
CasNumber:
583-02-8
MolecularFormula:
C10H9F3O2
MolecularWeight:
218.1725
MdlNumber:
MFCD00013563
Smiles:
CCOC(=O)c1ccc(cc1)C(F)(F)F
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1scc(n1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1scc(n1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__