AA78507
156469-70-4 | Methyl DL-trans-4-Phenylpyrrolidine-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA78507
ChemicalName
Methyl DL-trans-4-Phenylpyrrolidine-3-carboxylate
CasNumber
156469-70-4
MolecularFormula
C12H15NO2
MolecularWeight
205.253
MdlNumber
MFCD01862546
Smiles
COC(=O)[C@H]1CNC[C@@H]1c1ccccc1
Complexity
224
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.2
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CatalogNumber: AA78507
ChemicalName: Methyl DL-trans-4-Phenylpyrrolidine-3-carboxylate
CasNumber: 156469-70-4
MolecularFormula: C12H15NO2
MolecularWeight: 205.253
MdlNumber: MFCD01862546
Smiles: COC(=O)[C@H]1CNC[C@@H]1c1ccccc1
Complexity: 224
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AA78507
ChemicalName:
Methyl DL-trans-4-Phenylpyrrolidine-3-carboxylate
CasNumber:
156469-70-4
MolecularFormula:
C12H15NO2
MolecularWeight:
205.253
MdlNumber:
MFCD01862546
Smiles:
COC(=O)[C@H]1CNC[C@@H]1c1ccccc1
Complexity:
224
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: AA78509
ChemicalName: 4-Amino-1,2,5-oxadiazole-3-carbonitrile
CasNumber: 156463-85-3
MolecularFormula: C3H2N4O
MolecularWeight: 110.0742
MdlNumber: MFCD00235169
Smiles: Nc1nonc1C#N
Complexity: 127
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AA78509
ChemicalName:
4-Amino-1,2,5-oxadiazole-3-carbonitrile
CasNumber:
156463-85-3
MolecularFormula:
C3H2N4O
MolecularWeight:
110.0742
MdlNumber:
MFCD00235169
Smiles:
Nc1nonc1C#N
Complexity:
127
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [N-]=[N+]=NCCC[C@@H](C(=O)O)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[N-]=[N+]=NCCC[C@@H](C(=O)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA78512
ChemicalName: 5-Bromo-7-methyl-1H-indazole
CasNumber: 156454-43-2
MolecularFormula: C8H7BrN2
MolecularWeight: 211.05858
MdlNumber: MFCD18206295
Smiles: Brc1cc(C)c2c(c1)cn[nH]2
Complexity: 151
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
AA78512
ChemicalName:
5-Bromo-7-methyl-1H-indazole
CasNumber:
156454-43-2
MolecularFormula:
C8H7BrN2
MolecularWeight:
211.05858
MdlNumber:
MFCD18206295
Smiles:
Brc1cc(C)c2c(c1)cn[nH]2
Complexity:
151
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.6