AG16779
562074-43-5 | 2-(BOC-Amnio)-5-methylpyridine
Manufacturer: A2B Chem
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CatalogNumber
AG16779
ChemicalName
2-(BOC-Amnio)-5-methylpyridine
CasNumber
562074-43-5
MolecularFormula
C11H16N2O2
MolecularWeight
208.2569
MdlNumber
MFCD07776934
Smiles
O=C(OC(C)(C)C)Nc1ccc(cn1)C
Complexity
223
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AG16779
ChemicalName: 2-(BOC-Amnio)-5-methylpyridine
CasNumber: 562074-43-5
MolecularFormula: C11H16N2O2
MolecularWeight: 208.2569
MdlNumber: MFCD07776934
Smiles: O=C(OC(C)(C)C)Nc1ccc(cn1)C
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AG16779
ChemicalName:
2-(BOC-Amnio)-5-methylpyridine
CasNumber:
562074-43-5
MolecularFormula:
C11H16N2O2
MolecularWeight:
208.2569
MdlNumber:
MFCD07776934
Smiles:
O=C(OC(C)(C)C)Nc1ccc(cn1)C
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
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
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Smiles: FC(S(=O)(=O)[O-])(F)F.C[n+]1ccn(c1)S(=O)(=O)n1cncc1
Complexity: __
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Smiles:
FC(S(=O)(=O)[O-])(F)F.C[n+]1ccn(c1)S(=O)(=O)n1cncc1
Complexity:
__
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RotatableBondCount:
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Smiles: NC(=O)NC(c1ccccc1[N+](=O)[O-])C
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
NC(=O)NC(c1ccccc1[N+](=O)[O-])C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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