AG16780
4385-75-5 | 4-(3-Pyridyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG16780
ChemicalName
4-(3-Pyridyl)benzoic acid
CasNumber
4385-75-5
MolecularFormula
C12H9NO2
MolecularWeight
199.2054
MdlNumber
MFCD03426513
Smiles
OC(=O)c1ccc(cc1)c1cccnc1
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AG16780
ChemicalName: 4-(3-Pyridyl)benzoic acid
CasNumber: 4385-75-5
MolecularFormula: C12H9NO2
MolecularWeight: 199.2054
MdlNumber: MFCD03426513
Smiles: OC(=O)c1ccc(cc1)c1cccnc1
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AG16780
ChemicalName:
4-(3-Pyridyl)benzoic acid
CasNumber:
4385-75-5
MolecularFormula:
C12H9NO2
MolecularWeight:
199.2054
MdlNumber:
MFCD03426513
Smiles:
OC(=O)c1ccc(cc1)c1cccnc1
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(S(=O)(=O)[O-])(F)F.C[n+]1ccn(c1)S(=O)(=O)n1cncc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(S(=O)(=O)[O-])(F)F.C[n+]1ccn(c1)S(=O)(=O)n1cncc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)NC(c1ccccc1[N+](=O)[O-])C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)NC(c1ccccc1[N+](=O)[O-])C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG16783
ChemicalName: (1-Benzylazetidin-2-yl)methanamine
CasNumber: 46193-94-6
MolecularFormula: C11H16N2
MolecularWeight: 176.2581
MdlNumber: MFCD06658338
Smiles: NCC1CCN1Cc1ccccc1
Complexity: 152
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AG16783
ChemicalName:
(1-Benzylazetidin-2-yl)methanamine
CasNumber:
46193-94-6
MolecularFormula:
C11H16N2
MolecularWeight:
176.2581
MdlNumber:
MFCD06658338
Smiles:
NCC1CCN1Cc1ccccc1
Complexity:
152
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1