AI54601
66162-29-6 | 2-(4-Chlorobenzyl)pyrrolidine
Manufacturer: A2B Chem
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CatalogNumber
AI54601
ChemicalName
2-(4-Chlorobenzyl)pyrrolidine
CasNumber
66162-29-6
MolecularFormula
C11H14ClN
MolecularWeight
195.6886
MdlNumber
MFCD02663506
Smiles
Clc1ccc(cc1)CC1CCCN1
Complexity
152
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
2.9
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CatalogNumber: AI54601
ChemicalName: 2-(4-Chlorobenzyl)pyrrolidine
CasNumber: 66162-29-6
MolecularFormula: C11H14ClN
MolecularWeight: 195.6886
MdlNumber: MFCD02663506
Smiles: Clc1ccc(cc1)CC1CCCN1
Complexity: 152
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.9
CatalogNumber:
AI54601
ChemicalName:
2-(4-Chlorobenzyl)pyrrolidine
CasNumber:
66162-29-6
MolecularFormula:
C11H14ClN
MolecularWeight:
195.6886
MdlNumber:
MFCD02663506
Smiles:
Clc1ccc(cc1)CC1CCCN1
Complexity:
152
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.9
CatalogNumber: AI54602
ChemicalName: Sodium L-ascorbyl-2-phosphate
CasNumber: 66170-10-3
MolecularFormula: C6H6Na3O9P
MolecularWeight: 322.0495110000001
MdlNumber: MFCD04038081
Smiles: OC[C@@H]([C@H]1OC(=O)C(=C1[O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+]
Complexity: 357
Covalently-bondedUnitCount: 3
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AI54602
ChemicalName:
Sodium L-ascorbyl-2-phosphate
CasNumber:
66170-10-3
MolecularFormula:
C6H6Na3O9P
MolecularWeight:
322.0495110000001
MdlNumber:
MFCD04038081
Smiles:
OC[C@@H]([C@H]1OC(=O)C(=C1[O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+]
Complexity:
357
Covalently-bondedUnitCount:
3
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CNc1nnc(s1)S)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CNc1nnc(s1)S)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC(c1ccccc1Br)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC(c1ccccc1Br)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__