AC16810
86728-93-0 | (S)-Methyl-4-chloro-3-hydroxybutyrate
Manufacturer: A2B Chem
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CatalogNumber
AC16810
ChemicalName
(S)-Methyl-4-chloro-3-hydroxybutyrate
CasNumber
86728-93-0
MolecularFormula
C5H9ClO3
MolecularWeight
152.5762
MdlNumber
MFCD01862166
Smiles
COC(=O)C[C@@H](CCl)O
Complexity
94.2
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
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CatalogNumber: AC16810
ChemicalName: (S)-Methyl-4-chloro-3-hydroxybutyrate
CasNumber: 86728-93-0
MolecularFormula: C5H9ClO3
MolecularWeight: 152.5762
MdlNumber: MFCD01862166
Smiles: COC(=O)C[C@@H](CCl)O
Complexity: 94.2
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
CatalogNumber:
AC16810
ChemicalName:
(S)-Methyl-4-chloro-3-hydroxybutyrate
CasNumber:
86728-93-0
MolecularFormula:
C5H9ClO3
MolecularWeight:
152.5762
MdlNumber:
MFCD01862166
Smiles:
COC(=O)C[C@@H](CCl)O
Complexity:
94.2
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(c1ccc(cc1)Cc1c(=O)oc2c(c1O)cccc2)OC(C(F)(F)F)(C(F)(F)F)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
O=C(c1ccc(cc1)Cc1c(=O)oc2c(c1O)cccc2)OC(C(F)(F)F)(C(F)(F)F)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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MolecularFormula: __
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Smiles: OC(=O)c1ccc(cc1F)B1OC(C(O1)(C)C)(C)C
Complexity: 356
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(cc1F)B1OC(C(O1)(C)C)(C)C
Complexity:
356
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N1CCN(CC1)c1ccc(cc1)OCc1cccnc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N1CCN(CC1)c1ccc(cc1)OCc1cccnc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__