AG16892
5432-53-1 | 4-(4-(Dimethylamino)phenyl)but-3-en-2-one
Manufacturer: A2B Chem
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CatalogNumber
AG16892
ChemicalName
4-(4-(Dimethylamino)phenyl)but-3-en-2-one
CasNumber
5432-53-1
MolecularFormula
C12H15NO
MolecularWeight
189.2536
MdlNumber
MFCD00052839
Smiles
CC(=O)C=Cc1ccc(cc1)N(C)C
NscNumber
11433
Complexity
212
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AG16892
ChemicalName: 4-(4-(Dimethylamino)phenyl)but-3-en-2-one
CasNumber: 5432-53-1
MolecularFormula: C12H15NO
MolecularWeight: 189.2536
MdlNumber: MFCD00052839
Smiles: CC(=O)C=Cc1ccc(cc1)N(C)C
NscNumber: 11433
Complexity: 212
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AG16892
ChemicalName:
4-(4-(Dimethylamino)phenyl)but-3-en-2-one
CasNumber:
5432-53-1
MolecularFormula:
C12H15NO
MolecularWeight:
189.2536
MdlNumber:
MFCD00052839
Smiles:
CC(=O)C=Cc1ccc(cc1)N(C)C
NscNumber:
11433
Complexity:
212
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: __
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MolecularFormula: __
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Smiles: FC(=O)C(I)(F)F
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Complexity: __
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DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
FC(=O)C(I)(F)F
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Complexity:
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DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Nc1scc(n1)c1ccc(cc1)OC(F)(F)F
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Xlogp3: __
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Smiles:
Nc1scc(n1)c1ccc(cc1)OC(F)(F)F
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Complexity:
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Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: ClCCC(C(Br)(F)F)(Br)F
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DefinedBondStereocenterCount: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCCC(C(Br)(F)F)(Br)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__