AG21659
51132-00-4 | 1-Bromo-4-n-phthalimido-2-butanone
Manufacturer: A2B Chem
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CatalogNumber
AG21659
ChemicalName
1-Bromo-4-n-phthalimido-2-butanone
CasNumber
51132-00-4
MolecularFormula
C12H10BrNO3
MolecularWeight
296.1167
MdlNumber
MFCD04124730
Smiles
BrCC(=O)CCN1C(=O)c2c(C1=O)cccc2
Complexity
332
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.9
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CatalogNumber: AG21659
ChemicalName: 1-Bromo-4-n-phthalimido-2-butanone
CasNumber: 51132-00-4
MolecularFormula: C12H10BrNO3
MolecularWeight: 296.1167
MdlNumber: MFCD04124730
Smiles: BrCC(=O)CCN1C(=O)c2c(C1=O)cccc2
Complexity: 332
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.9
CatalogNumber:
AG21659
ChemicalName:
1-Bromo-4-n-phthalimido-2-butanone
CasNumber:
51132-00-4
MolecularFormula:
C12H10BrNO3
MolecularWeight:
296.1167
MdlNumber:
MFCD04124730
Smiles:
BrCC(=O)CCN1C(=O)c2c(C1=O)cccc2
Complexity:
332
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.9
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Smiles: O=Cc1ncc2c(c1)OCCO2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
O=Cc1ncc2c(c1)OCCO2
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: COC(=O)c1ncc2c(c1)OCCO2
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Smiles:
COC(=O)c1ncc2c(c1)OCCO2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc2c(c1)CNC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc2c(c1)CNC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__