AB56131
86728-85-0 | Ethyl (S)-4-chloro-3-hydroxybutyrate
Manufacturer: A2B Chem
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CatalogNumber
AB56131
ChemicalName
Ethyl (S)-4-chloro-3-hydroxybutyrate
CasNumber
86728-85-0
MolecularFormula
C6H11ClO3
MolecularWeight
166.6027
MdlNumber
MFCD00211241
Smiles
CCOC(=O)C[C@@H](CCl)O
Complexity
105
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
0.4
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CatalogNumber: AB56131
ChemicalName: Ethyl (S)-4-chloro-3-hydroxybutyrate
CasNumber: 86728-85-0
MolecularFormula: C6H11ClO3
MolecularWeight: 166.6027
MdlNumber: MFCD00211241
Smiles: CCOC(=O)C[C@@H](CCl)O
Complexity: 105
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 0.4
CatalogNumber:
AB56131
ChemicalName:
Ethyl (S)-4-chloro-3-hydroxybutyrate
CasNumber:
86728-85-0
MolecularFormula:
C6H11ClO3
MolecularWeight:
166.6027
MdlNumber:
MFCD00211241
Smiles:
CCOC(=O)C[C@@H](CCl)O
Complexity:
105
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H](c1ccc(cc1)Cl)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H](c1ccc(cc1)Cl)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC([C@@H]1NC(=O)OC1(c1ccccc1)c1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC([C@@H]1NC(=O)OC1(c1ccccc1)c1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC([C@H]1CSC(=S)N1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC([C@H]1CSC(=S)N1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__