AD24179
4974-59-8 | 2,2-Dichloro-1-(p-tolyl)ethanone
Manufacturer: A2B Chem
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CatalogNumber
AD24179
ChemicalName
2,2-Dichloro-1-(p-tolyl)ethanone
CasNumber
4974-59-8
MolecularFormula
C9H8Cl2O
MolecularWeight
203.0652
MdlNumber
MFCD13172989
Smiles
ClC(C(=O)c1ccc(cc1)C)Cl
Complexity
160
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AD24179
ChemicalName: 2,2-Dichloro-1-(p-tolyl)ethanone
CasNumber: 4974-59-8
MolecularFormula: C9H8Cl2O
MolecularWeight: 203.0652
MdlNumber: MFCD13172989
Smiles: ClC(C(=O)c1ccc(cc1)C)Cl
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AD24179
ChemicalName:
2,2-Dichloro-1-(p-tolyl)ethanone
CasNumber:
4974-59-8
MolecularFormula:
C9H8Cl2O
MolecularWeight:
203.0652
MdlNumber:
MFCD13172989
Smiles:
ClC(C(=O)c1ccc(cc1)C)Cl
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=CC(=O)c1ccc(cc1)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=CC(=O)c1ccc(cc1)[N+](=O)[O-]
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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CatalogNumber: AD24183
ChemicalName: Ethyl 3-(4-cyanophenyl)-3-oxopropanoate
CasNumber: 49744-93-6
MolecularFormula: C12H11NO3
MolecularWeight: 217.2206
MdlNumber: MFCD00029621
Smiles: CCOC(=O)CC(=O)c1ccc(cc1)C#N
Complexity: 308
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 1.6
CatalogNumber:
AD24183
ChemicalName:
Ethyl 3-(4-cyanophenyl)-3-oxopropanoate
CasNumber:
49744-93-6
MolecularFormula:
C12H11NO3
MolecularWeight:
217.2206
MdlNumber:
MFCD00029621
Smiles:
CCOC(=O)CC(=O)c1ccc(cc1)C#N
Complexity:
308
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
1.6