AG16788
476493-40-0 | 1-N-Boc-3-cyanopyrrolidine
Manufacturer: A2B Chem
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CatalogNumber
AG16788
ChemicalName
1-N-Boc-3-cyanopyrrolidine
CasNumber
476493-40-0
MolecularFormula
C10H16N2O2
MolecularWeight
196.2462
MdlNumber
MFCD03001709
Smiles
N#CC1CCN(C1)C(=O)OC(C)(C)C
Complexity
272
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1
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CatalogNumber: AG16788
ChemicalName: 1-N-Boc-3-cyanopyrrolidine
CasNumber: 476493-40-0
MolecularFormula: C10H16N2O2
MolecularWeight: 196.2462
MdlNumber: MFCD03001709
Smiles: N#CC1CCN(C1)C(=O)OC(C)(C)C
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1
CatalogNumber:
AG16788
ChemicalName:
1-N-Boc-3-cyanopyrrolidine
CasNumber:
476493-40-0
MolecularFormula:
C10H16N2O2
MolecularWeight:
196.2462
MdlNumber:
MFCD03001709
Smiles:
N#CC1CCN(C1)C(=O)OC(C)(C)C
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1
CatalogNumber: AG16789
ChemicalName: (4-Pyridin-4-yl-phenyl)-acetic acid
CasNumber: 55397-08-5
MolecularFormula: C13H11NO2
MolecularWeight: 213.23193999999998
MdlNumber: MFCD06658509
Smiles: OC(=O)Cc1ccc(cc1)c1ccncc1
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 1.9
CatalogNumber:
AG16789
ChemicalName:
(4-Pyridin-4-yl-phenyl)-acetic acid
CasNumber:
55397-08-5
MolecularFormula:
C13H11NO2
MolecularWeight:
213.23193999999998
MdlNumber:
MFCD06658509
Smiles:
OC(=O)Cc1ccc(cc1)c1ccncc1
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1cc(ccc1F)[N+](=O)[O-])OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1cc(ccc1F)[N+](=O)[O-])OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(F)(F)F.COc1ccccc1C(=O)N1CCNCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(F)(F)F.COc1ccccc1C(=O)N1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__