AE24332
1073632-93-5 | (3-Bromo-4-oxo-cyclohexyl)-carbamic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AE24332
ChemicalName
(3-Bromo-4-oxo-cyclohexyl)-carbamic acid tert-butyl ester
CasNumber
1073632-93-5
MolecularFormula
C11H18BrNO3
MolecularWeight
292.1695
MdlNumber
MFCD23115355
Smiles
O=C(OC(C)(C)C)NC1CCC(=O)C(C1)Br
Complexity
285
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
2
Xlogp3
2.1
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CatalogNumber: AE24332
ChemicalName: (3-Bromo-4-oxo-cyclohexyl)-carbamic acid tert-butyl ester
CasNumber: 1073632-93-5
MolecularFormula: C11H18BrNO3
MolecularWeight: 292.1695
MdlNumber: MFCD23115355
Smiles: O=C(OC(C)(C)C)NC1CCC(=O)C(C1)Br
Complexity: 285
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 2
Xlogp3: 2.1
CatalogNumber:
AE24332
ChemicalName:
(3-Bromo-4-oxo-cyclohexyl)-carbamic acid tert-butyl ester
CasNumber:
1073632-93-5
MolecularFormula:
C11H18BrNO3
MolecularWeight:
292.1695
MdlNumber:
MFCD23115355
Smiles:
O=C(OC(C)(C)C)NC1CCC(=O)C(C1)Br
Complexity:
285
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
2
Xlogp3:
2.1
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Smiles: O=Cc1cc(Cl)ncc1C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
O=Cc1cc(Cl)ncc1C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: [O-][N+](=O)c1ccc2c(c1)NCC2.Cl
Complexity: __
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HeavyAtomCount: __
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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-][N+](=O)c1ccc2c(c1)NCC2.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCCc2c1cncn2)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCCc2c1cncn2)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__