AG17557
55579-71-0 | 5-(3-Chlorophenyl)cyclohexane-1,3-dione
Manufacturer: A2B Chem
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CatalogNumber
AG17557
ChemicalName
5-(3-Chlorophenyl)cyclohexane-1,3-dione
CasNumber
55579-71-0
MolecularFormula
C12H11ClO2
MolecularWeight
222.6675
MdlNumber
MFCD00111880
Smiles
O=C1CC(=O)CC(C1)c1cccc(c1)Cl
Complexity
259
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AG17557
ChemicalName: 5-(3-Chlorophenyl)cyclohexane-1,3-dione
CasNumber: 55579-71-0
MolecularFormula: C12H11ClO2
MolecularWeight: 222.6675
MdlNumber: MFCD00111880
Smiles: O=C1CC(=O)CC(C1)c1cccc(c1)Cl
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AG17557
ChemicalName:
5-(3-Chlorophenyl)cyclohexane-1,3-dione
CasNumber:
55579-71-0
MolecularFormula:
C12H11ClO2
MolecularWeight:
222.6675
MdlNumber:
MFCD00111880
Smiles:
O=C1CC(=O)CC(C1)c1cccc(c1)Cl
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2
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Smiles: CSC1=NC(=C(C(=N1)Cl)C=O)N2CCCC2
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Smiles:
CSC1=NC(=C(C(=N1)Cl)C=O)N2CCCC2
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COc1cc2oc(=O)cc(c2cc1O)c1ccccc1
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Smiles:
COc1cc2oc(=O)cc(c2cc1O)c1ccccc1
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: OC(=O)c1ccccc1Nc1ccccc1Br
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)c1ccccc1Nc1ccccc1Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__