AB52595
10488-68-3 | Methyl 4-chloro-3-hydroxybutanoate
Manufacturer: A2B Chem
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CatalogNumber
AB52595
ChemicalName
Methyl 4-chloro-3-hydroxybutanoate
CasNumber
10488-68-3
MolecularFormula
C5H9ClO3
MolecularWeight
152.5762
MdlNumber
MFCD09744009
Smiles
COC(=O)CC(CCl)O
Complexity
94.2
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
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CatalogNumber: AB52595
ChemicalName: Methyl 4-chloro-3-hydroxybutanoate
CasNumber: 10488-68-3
MolecularFormula: C5H9ClO3
MolecularWeight: 152.5762
MdlNumber: MFCD09744009
Smiles: COC(=O)CC(CCl)O
Complexity: 94.2
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AB52595
ChemicalName:
Methyl 4-chloro-3-hydroxybutanoate
CasNumber:
10488-68-3
MolecularFormula:
C5H9ClO3
MolecularWeight:
152.5762
MdlNumber:
MFCD09744009
Smiles:
COC(=O)CC(CCl)O
Complexity:
94.2
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
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Smiles: ClCC(=O)c1ccccc1
Complexity: __
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RotatableBondCount: __
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Smiles:
ClCC(=O)c1ccccc1
Complexity:
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Smiles: CCOc1cc(ccc1OC)[C@H](CS(=O)(=O)C)N
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Smiles:
CCOc1cc(ccc1OC)[C@H](CS(=O)(=O)C)N
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1cc(ccc1OC)C(N1C(=O)c2c(C1=O)c(ccc2)NC(=O)C)CS(=O)(=O)C
Complexity: __
Covalently-bondedUnitCount: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1cc(ccc1OC)C(N1C(=O)c2c(C1=O)c(ccc2)NC(=O)C)CS(=O)(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__