AI33432
1381927-60-1 | (S)-Methyl 3-(pyrrolidin-2-yl)benzoate hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AI33432
ChemicalName
(S)-Methyl 3-(pyrrolidin-2-yl)benzoate hydrochloride
CasNumber
1381927-60-1
MolecularFormula
C12H16ClNO2
MolecularWeight
241.7139
MdlNumber
MFCD08751461
Smiles
COC(=O)c1cccc(c1)[C@@H]1CCCN1.Cl
Complexity
230
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AI33432
ChemicalName: (S)-Methyl 3-(pyrrolidin-2-yl)benzoate hydrochloride
CasNumber: 1381927-60-1
MolecularFormula: C12H16ClNO2
MolecularWeight: 241.7139
MdlNumber: MFCD08751461
Smiles: COC(=O)c1cccc(c1)[C@@H]1CCCN1.Cl
Complexity: 230
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AI33432
ChemicalName:
(S)-Methyl 3-(pyrrolidin-2-yl)benzoate hydrochloride
CasNumber:
1381927-60-1
MolecularFormula:
C12H16ClNO2
MolecularWeight:
241.7139
MdlNumber:
MFCD08751461
Smiles:
COC(=O)c1cccc(c1)[C@@H]1CCCN1.Cl
Complexity:
230
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: AI33433
ChemicalName: (2R)-2-(5-Fluoro-2-methyl-phenyl)pyrrolidine hcl
CasNumber: 1381929-21-0
MolecularFormula: C11H15ClFN
MolecularWeight: 215.6949
MdlNumber: MFCD12758604
Smiles: Fc1ccc(c(c1)[C@H]1CCCN1)C.Cl
Complexity: 172
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AI33433
ChemicalName:
(2R)-2-(5-Fluoro-2-methyl-phenyl)pyrrolidine hcl
CasNumber:
1381929-21-0
MolecularFormula:
C11H15ClFN
MolecularWeight:
215.6949
MdlNumber:
MFCD12758604
Smiles:
Fc1ccc(c(c1)[C@H]1CCCN1)C.Cl
Complexity:
172
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
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Smiles: O=Cc1ccc2c(c1)ccc(c2)B1OC(C(O1)(C)C)(C)C
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Smiles:
O=Cc1ccc2c(c1)ccc(c2)B1OC(C(O1)(C)C)(C)C
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Smiles: Oc1ccc2c(-c3ccccc3C2O)c1
Complexity: 241
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Oc1ccc2c(-c3ccccc3C2O)c1
Complexity:
241
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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