AF57556
335104-84-2 | 2-(2-Chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoyl)cyclohexane-1,3-dione
Manufacturer: A2B Chem
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CatalogNumber
AF57556
ChemicalName
2-(2-Chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoyl)cyclohexane-1,3-dione
CasNumber
335104-84-2
MolecularFormula
C17H16ClF3O6S
MolecularWeight
440.8185
MdlNumber
MFCD11840613
Smiles
O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C
Complexity
714
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
9
RotatableBondCount
6
Xlogp3
2.2
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CatalogNumber: AF57556
ChemicalName: 2-(2-Chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoyl)cyclohexane-1,3-dione
CasNumber: 335104-84-2
MolecularFormula: C17H16ClF3O6S
MolecularWeight: 440.8185
MdlNumber: MFCD11840613
Smiles: O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C
Complexity: 714
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 9
RotatableBondCount: 6
Xlogp3: 2.2
CatalogNumber:
AF57556
ChemicalName:
2-(2-Chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoyl)cyclohexane-1,3-dione
CasNumber:
335104-84-2
MolecularFormula:
C17H16ClF3O6S
MolecularWeight:
440.8185
MdlNumber:
MFCD11840613
Smiles:
O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C
Complexity:
714
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
9
RotatableBondCount:
6
Xlogp3:
2.2
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Smiles: Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C
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Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C
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Smiles: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCN2C(=O)N(C(=O)N(C2=O)CCOC(=O)CCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)CCOC(=O)CCC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C
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Smiles:
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCN2C(=O)N(C(=O)N(C2=O)CCOC(=O)CCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)CCOC(=O)CCC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C
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HydrogenBondAcceptorCount:
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