AA91118
169032-99-9 | (2S,4S)-1-tert-Butyl 2-methyl 4-chloropyrrolidine-1,2-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA91118
ChemicalName
(2S,4S)-1-tert-Butyl 2-methyl 4-chloropyrrolidine-1,2-dicarboxylate
CasNumber
169032-99-9
MolecularFormula
C11H18ClNO4
MolecularWeight
263.71791999999994
MdlNumber
MFCD09029703
Smiles
COC(=O)[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)Cl
Complexity
313
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
1.9
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CatalogNumber: AA91118
ChemicalName: (2S,4S)-1-tert-Butyl 2-methyl 4-chloropyrrolidine-1,2-dicarboxylate
CasNumber: 169032-99-9
MolecularFormula: C11H18ClNO4
MolecularWeight: 263.71791999999994
MdlNumber: MFCD09029703
Smiles: COC(=O)[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)Cl
Complexity: 313
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 1.9
CatalogNumber:
AA91118
ChemicalName:
(2S,4S)-1-tert-Butyl 2-methyl 4-chloropyrrolidine-1,2-dicarboxylate
CasNumber:
169032-99-9
MolecularFormula:
C11H18ClNO4
MolecularWeight:
263.71791999999994
MdlNumber:
MFCD09029703
Smiles:
COC(=O)[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)Cl
Complexity:
313
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
1.9
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Smiles: OC(=O)C1Cc2c(C1)cccc2O
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Smiles:
OC(=O)C1Cc2c(C1)cccc2O
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Smiles: OP(=O)(OCC[N+](C)(C)C)O.[Na].[Na].[Cl-]
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Smiles:
OP(=O)(OCC[N+](C)(C)C)O.[Na].[Na].[Cl-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: OC[C@H]1CNC[C@H]([C@@H]1O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1CNC[C@H]([C@@H]1O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__