AA54110
1217694-15-9 | (2S)-2-(3-Bromophenyl)pyrrolidine
Manufacturer: A2B Chem
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CatalogNumber
AA54110
ChemicalName
(2S)-2-(3-Bromophenyl)pyrrolidine
CasNumber
1217694-15-9
MolecularFormula
C10H12BrN
MolecularWeight
226.11298000000008
MdlNumber
MFCD06762566
Smiles
Brc1cccc(c1)[C@@H]1CCCN1
Complexity
149
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AA54110
ChemicalName: (2S)-2-(3-Bromophenyl)pyrrolidine
CasNumber: 1217694-15-9
MolecularFormula: C10H12BrN
MolecularWeight: 226.11298000000008
MdlNumber: MFCD06762566
Smiles: Brc1cccc(c1)[C@@H]1CCCN1
Complexity: 149
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AA54110
ChemicalName:
(2S)-2-(3-Bromophenyl)pyrrolidine
CasNumber:
1217694-15-9
MolecularFormula:
C10H12BrN
MolecularWeight:
226.11298000000008
MdlNumber:
MFCD06762566
Smiles:
Brc1cccc(c1)[C@@H]1CCCN1
Complexity:
149
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5
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Smiles: CCC[C@H]1CNCCN1C(=O)OCc1ccccc1.Cl
Complexity: __
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Smiles:
CCC[C@H]1CNCCN1C(=O)OCc1ccccc1.Cl
Complexity:
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Smiles: O=C(N[C@H](c1ccccc1C)[C@H](C(=O)O)O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
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Smiles:
O=C(N[C@H](c1ccccc1C)[C@H](C(=O)O)O)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: OC(=O)[C@H]1CN(CCN1C(=O)OCC1c2ccccc2-c2c1cccc2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H]1CN(CCN1C(=O)OCC1c2ccccc2-c2c1cccc2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__