AE11150
1083057-12-8 | tert-Butyl 3-(3-methylpyridin-2-yl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AE11150
ChemicalName
tert-Butyl 3-(3-methylpyridin-2-yl)benzoate
CasNumber
1083057-12-8
MolecularFormula
C17H19NO2
MolecularWeight
269.3383
MdlNumber
MFCD26383927
Smiles
O=C(c1cccc(c1)c1ncccc1C)OC(C)(C)C
Complexity
334
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
3.7
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CatalogNumber: AE11150
ChemicalName: tert-Butyl 3-(3-methylpyridin-2-yl)benzoate
CasNumber: 1083057-12-8
MolecularFormula: C17H19NO2
MolecularWeight: 269.3383
MdlNumber: MFCD26383927
Smiles: O=C(c1cccc(c1)c1ncccc1C)OC(C)(C)C
Complexity: 334
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 3.7
CatalogNumber:
AE11150
ChemicalName:
tert-Butyl 3-(3-methylpyridin-2-yl)benzoate
CasNumber:
1083057-12-8
MolecularFormula:
C17H19NO2
MolecularWeight:
269.3383
MdlNumber:
MFCD26383927
Smiles:
O=C(c1cccc(c1)c1ncccc1C)OC(C)(C)C
Complexity:
334
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
3.7
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Smiles: [O-]C(=O)C.COC(=O)c1cccc(c1)C(=[NH2+])N
Complexity: __
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Smiles:
[O-]C(=O)C.COC(=O)c1cccc(c1)C(=[NH2+])N
Complexity:
__
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__
HeavyAtomCount:
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Smiles: O=C(NC1CCCCNC1)OCc1ccccc1
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HydrogenBondAcceptorCount: __
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Smiles:
O=C(NC1CCCCNC1)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: O=C(N1CC2C(C1)CON2)OCc1ccccc1
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(N1CC2C(C1)CON2)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__