AI10026
1159825-42-9 | 1-N-Boc-3-(4-bromophenoxy)pyrrolidine
Manufacturer: A2B Chem
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CatalogNumber
AI10026
ChemicalName
1-N-Boc-3-(4-bromophenoxy)pyrrolidine
CasNumber
1159825-42-9
MolecularFormula
C15H20BrNO3
MolecularWeight
342.22819999999996
MdlNumber
MFCD12068410
Smiles
Brc1ccc(cc1)OC1CCN(C1)C(=O)OC(C)(C)C
Complexity
335
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
3.7
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CatalogNumber: AI10026
ChemicalName: 1-N-Boc-3-(4-bromophenoxy)pyrrolidine
CasNumber: 1159825-42-9
MolecularFormula: C15H20BrNO3
MolecularWeight: 342.22819999999996
MdlNumber: MFCD12068410
Smiles: Brc1ccc(cc1)OC1CCN(C1)C(=O)OC(C)(C)C
Complexity: 335
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.7
CatalogNumber:
AI10026
ChemicalName:
1-N-Boc-3-(4-bromophenoxy)pyrrolidine
CasNumber:
1159825-42-9
MolecularFormula:
C15H20BrNO3
MolecularWeight:
342.22819999999996
MdlNumber:
MFCD12068410
Smiles:
Brc1ccc(cc1)OC1CCN(C1)C(=O)OC(C)(C)C
Complexity:
335
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.7
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Smiles: Brc1ccc(c(c1)F)C(=O)C1CCN(CC1)C(=O)OC(C)(C)C
Complexity: __
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Smiles:
Brc1ccc(c(c1)F)C(=O)C1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
__
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__
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UndefinedAtomStereocenterCount:
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Smiles: NCC1CCc2c(N1C(=O)OC(C)(C)C)cccc2.Cl
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Smiles:
NCC1CCc2c(N1C(=O)OC(C)(C)C)cccc2.Cl
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: NCCc1ccccc1C#N.Cl
Complexity: __
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RotatableBondCount: __
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Xlogp3: __
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MolecularFormula:
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Smiles:
NCCc1ccccc1C#N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__