AI41465
1838-39-7 | Ethyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI41465
ChemicalName
Ethyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
CasNumber
1838-39-7
MolecularFormula
C12H21NO4
MolecularWeight
243.2994
MdlNumber
MFCD00101929
Smiles
CCOC(=O)CN1CCC(CC1)C(=O)OCC
NscNumber
100756
Complexity
259
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
RotatableBondCount
7
Xlogp3
1.3
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CatalogNumber: AI41465
ChemicalName: Ethyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
CasNumber: 1838-39-7
MolecularFormula: C12H21NO4
MolecularWeight: 243.2994
MdlNumber: MFCD00101929
Smiles: CCOC(=O)CN1CCC(CC1)C(=O)OCC
NscNumber: 100756
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 7
Xlogp3: 1.3
CatalogNumber:
AI41465
ChemicalName:
Ethyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
CasNumber:
1838-39-7
MolecularFormula:
C12H21NO4
MolecularWeight:
243.2994
MdlNumber:
MFCD00101929
Smiles:
CCOC(=O)CN1CCC(CC1)C(=O)OCC
NscNumber:
100756
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
7
Xlogp3:
1.3
CatalogNumber: AI41466
ChemicalName: 5-Bromo-2-chlorophenol
CasNumber: 183802-98-4
MolecularFormula: C6H4BrClO
MolecularWeight: 207.4524
MdlNumber: MFCD00672940
Smiles: Brc1ccc(c(c1)O)Cl
NscNumber: __
Complexity: 99.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
AI41466
ChemicalName:
5-Bromo-2-chlorophenol
CasNumber:
183802-98-4
MolecularFormula:
C6H4BrClO
MolecularWeight:
207.4524
MdlNumber:
MFCD00672940
Smiles:
Brc1ccc(c(c1)O)Cl
NscNumber:
__
Complexity:
99.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CN(C(=O)OC(C)(C)C)C[B-](F)(F)F.[K+]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CN(C(=O)OC(C)(C)C)C[B-](F)(F)F.[K+]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI41468
ChemicalName: 6-Bromo-3,4-dihydro-2h-1-benzopyran-4-ol
CasNumber: 18385-77-8
MolecularFormula: C9H9BrO2
MolecularWeight: 229.0706
MdlNumber: MFCD11899784
Smiles: Brc1ccc2c(c1)C(O)CCO2
NscNumber: __
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
AI41468
ChemicalName:
6-Bromo-3,4-dihydro-2h-1-benzopyran-4-ol
CasNumber:
18385-77-8
MolecularFormula:
C9H9BrO2
MolecularWeight:
229.0706
MdlNumber:
MFCD11899784
Smiles:
Brc1ccc2c(c1)C(O)CCO2
NscNumber:
__
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
1.9