AF87466
31686-94-9 | Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate
Manufacturer: A2B Chem
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CatalogNumber
AF87466
ChemicalName
Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate
CasNumber
31686-94-9
MolecularFormula
C12H11FO4
MolecularWeight
238.2117
MdlNumber
MFCD02672449
Smiles
CCOC(=O)C(=O)CC(=O)c1ccc(cc1)F
Complexity
306
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
RotatableBondCount
6
Xlogp3
2
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CatalogNumber: AF87466
ChemicalName: Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate
CasNumber: 31686-94-9
MolecularFormula: C12H11FO4
MolecularWeight: 238.2117
MdlNumber: MFCD02672449
Smiles: CCOC(=O)C(=O)CC(=O)c1ccc(cc1)F
Complexity: 306
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 6
Xlogp3: 2
CatalogNumber:
AF87466
ChemicalName:
Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate
CasNumber:
31686-94-9
MolecularFormula:
C12H11FO4
MolecularWeight:
238.2117
MdlNumber:
MFCD02672449
Smiles:
CCOC(=O)C(=O)CC(=O)c1ccc(cc1)F
Complexity:
306
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
6
Xlogp3:
2
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Smiles: c1cc2ccc3c4c2c(c1)ccc4ccc3c1cc(cc(c1)c1ccc2c3c1ccc1c3c(cc2)ccc1)c1ccc2c3c1ccc1c3c(cc2)ccc1
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
c1cc2ccc3c4c2c(c1)ccc4ccc3c1cc(cc(c1)c1ccc2c3c1ccc1c3c(cc2)ccc1)c1ccc2c3c1ccc1c3c(cc2)ccc1
Complexity:
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Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Cc1cccc(c1)C#C[Si](C)(C)C
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Smiles:
Cc1cccc(c1)C#C[Si](C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: c1ccc(cc1)[Si](c1ccccc1)(c1ccccc1)c1ccc(cc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
c1ccc(cc1)[Si](c1ccccc1)(c1ccccc1)c1ccc(cc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__