AF87396
359779-74-1 | tert-Butyl 3-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF87396
ChemicalName
tert-Butyl 3-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate
CasNumber
359779-74-1
MolecularFormula
C12H19NO3
MolecularWeight
225.2842
MdlNumber
MFCD17016765
Smiles
O=C1CC2CC(C1)N(C2)C(=O)OC(C)(C)C
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
1
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CatalogNumber: AF87396
ChemicalName: tert-Butyl 3-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate
CasNumber: 359779-74-1
MolecularFormula: C12H19NO3
MolecularWeight: 225.2842
MdlNumber: MFCD17016765
Smiles: O=C1CC2CC(C1)N(C2)C(=O)OC(C)(C)C
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 1
CatalogNumber:
AF87396
ChemicalName:
tert-Butyl 3-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate
CasNumber:
359779-74-1
MolecularFormula:
C12H19NO3
MolecularWeight:
225.2842
MdlNumber:
MFCD17016765
Smiles:
O=C1CC2CC(C1)N(C2)C(=O)OC(C)(C)C
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1OC(=O)CC(C1)c1cccc(c1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C1OC(=O)CC(C1)c1cccc(c1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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CatalogNumber: AF87399
ChemicalName: 4-(Bromomethyl)-2,2-dimethyl-1,3-dioxolane
CasNumber: 36236-76-7
MolecularFormula: C6H11BrO2
MolecularWeight: 195.05434000000002
MdlNumber: MFCD14584455
Smiles: BrCC1COC(O1)(C)C
Complexity: 103
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.2
CatalogNumber:
AF87399
ChemicalName:
4-(Bromomethyl)-2,2-dimethyl-1,3-dioxolane
CasNumber:
36236-76-7
MolecularFormula:
C6H11BrO2
MolecularWeight:
195.05434000000002
MdlNumber:
MFCD14584455
Smiles:
BrCC1COC(O1)(C)C
Complexity:
103
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__