AI58121
869658-28-6 | Racemic-tert-butyl 3-(hydroxymethyl)-2-azabicyclo[2.2.2]octane-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI58121
ChemicalName
Racemic-tert-butyl 3-(hydroxymethyl)-2-azabicyclo[2.2.2]octane-2-carboxylate
CasNumber
869658-28-6
MolecularFormula
C13H23NO3
MolecularWeight
241.3266
MdlNumber
MFCD31580062
Smiles
OC[C@H]1C2CCC(N1C(=O)OC(C)(C)C)CC2
Complexity
290
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.8
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CatalogNumber: AI58121
ChemicalName: Racemic-tert-butyl 3-(hydroxymethyl)-2-azabicyclo[2.2.2]octane-2-carboxylate
CasNumber: 869658-28-6
MolecularFormula: C13H23NO3
MolecularWeight: 241.3266
MdlNumber: MFCD31580062
Smiles: OC[C@H]1C2CCC(N1C(=O)OC(C)(C)C)CC2
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.8
CatalogNumber:
AI58121
ChemicalName:
Racemic-tert-butyl 3-(hydroxymethyl)-2-azabicyclo[2.2.2]octane-2-carboxylate
CasNumber:
869658-28-6
MolecularFormula:
C13H23NO3
MolecularWeight:
241.3266
MdlNumber:
MFCD31580062
Smiles:
OC[C@H]1C2CCC(N1C(=O)OC(C)(C)C)CC2
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.8
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Smiles: ClC(=O)Oc1ccccc1C(F)(F)F
Complexity: __
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Smiles:
ClC(=O)Oc1ccccc1C(F)(F)F
Complexity:
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__
HydrogenBondAcceptorCount:
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Smiles: COc1ccc(cc1)c1cc2c(s1)c(Cl)ncn2
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Smiles:
COc1ccc(cc1)c1cc2c(s1)c(Cl)ncn2
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: ClCc1onc(n1)c1cscc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCc1onc(n1)c1cscc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__