AI14178
1217651-75-6 | (S)-2-(4-Chlorophenyl)pyrrolidine
Manufacturer: A2B Chem
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CatalogNumber
AI14178
ChemicalName
(S)-2-(4-Chlorophenyl)pyrrolidine
CasNumber
1217651-75-6
MolecularFormula
C10H12ClN
MolecularWeight
181.662
MdlNumber
MFCD06762550
Smiles
Clc1ccc(cc1)[C@@H]1CCCN1
Complexity
141
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AI14178
ChemicalName: (S)-2-(4-Chlorophenyl)pyrrolidine
CasNumber: 1217651-75-6
MolecularFormula: C10H12ClN
MolecularWeight: 181.662
MdlNumber: MFCD06762550
Smiles: Clc1ccc(cc1)[C@@H]1CCCN1
Complexity: 141
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AI14178
ChemicalName:
(S)-2-(4-Chlorophenyl)pyrrolidine
CasNumber:
1217651-75-6
MolecularFormula:
C10H12ClN
MolecularWeight:
181.662
MdlNumber:
MFCD06762550
Smiles:
Clc1ccc(cc1)[C@@H]1CCCN1
Complexity:
141
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: __
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MolecularFormula: __
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Smiles: COC(=O)[C@@H]1CC[C@H](CC1)Cn1c(=O)[nH]c2c(c1=O)cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COC(=O)[C@@H]1CC[C@H](CC1)Cn1c(=O)[nH]c2c(c1=O)cccc2
Complexity:
__
Covalently-bondedUnitCount:
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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: Brc1cccc(c1)C[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Brc1cccc(c1)C[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(N[C@H]([C@@H](c1ccccc1)O)C(=O)O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@H]([C@@H](c1ccccc1)O)C(=O)O)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__