AI17260
1259366-15-8 | tert-Butyl 4-iodo-1-methyl-7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI17260
ChemicalName
tert-Butyl 4-iodo-1-methyl-7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate
CasNumber
1259366-15-8
MolecularFormula
C13H20INO3
MolecularWeight
365.2073
MdlNumber
MFCD29917019
Smiles
IC1CCC2(CC1N(C(=O)OC(C)(C)C)C2=O)C
Complexity
390
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
3
Xlogp3
2.9
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CatalogNumber: AI17260
ChemicalName: tert-Butyl 4-iodo-1-methyl-7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate
CasNumber: 1259366-15-8
MolecularFormula: C13H20INO3
MolecularWeight: 365.2073
MdlNumber: MFCD29917019
Smiles: IC1CCC2(CC1N(C(=O)OC(C)(C)C)C2=O)C
Complexity: 390
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 3
Xlogp3: 2.9
CatalogNumber:
AI17260
ChemicalName:
tert-Butyl 4-iodo-1-methyl-7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate
CasNumber:
1259366-15-8
MolecularFormula:
C13H20INO3
MolecularWeight:
365.2073
MdlNumber:
MFCD29917019
Smiles:
IC1CCC2(CC1N(C(=O)OC(C)(C)C)C2=O)C
Complexity:
390
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
3
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNc1nc(C)cc(n1)C.Cl
Complexity: 95.9
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNc1nc(C)cc(n1)C.Cl
Complexity:
95.9
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI17262
ChemicalName: 5-Methyl-2-(methylthio)phenylboronic acid
CasNumber: 1259443-48-5
MolecularFormula: C8H11BO2S
MolecularWeight: 182.0477
MdlNumber: MFCD18384185
Smiles: CSc1ccc(cc1B(O)O)C
Complexity: 143
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AI17262
ChemicalName:
5-Methyl-2-(methylthio)phenylboronic acid
CasNumber:
1259443-48-5
MolecularFormula:
C8H11BO2S
MolecularWeight:
182.0477
MdlNumber:
MFCD18384185
Smiles:
CSc1ccc(cc1B(O)O)C
Complexity:
143
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(=O)C)SC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(=O)C)SC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__