AD13799
668969-68-4 | Ethyl 2-(5-bromo-2-fluorophenyl)-2-oxoacetate
Manufacturer: A2B Chem
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CatalogNumber
AD13799
ChemicalName
Ethyl 2-(5-bromo-2-fluorophenyl)-2-oxoacetate
CasNumber
668969-68-4
MolecularFormula
C10H8BrFO3
MolecularWeight
275.0711232
MdlNumber
MFCD22375106
Smiles
CCOC(=O)C(=O)c1cc(Br)ccc1F
Complexity
257
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
2.8
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CatalogNumber: AD13799
ChemicalName: Ethyl 2-(5-bromo-2-fluorophenyl)-2-oxoacetate
CasNumber: 668969-68-4
MolecularFormula: C10H8BrFO3
MolecularWeight: 275.0711232
MdlNumber: MFCD22375106
Smiles: CCOC(=O)C(=O)c1cc(Br)ccc1F
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.8
CatalogNumber:
AD13799
ChemicalName:
Ethyl 2-(5-bromo-2-fluorophenyl)-2-oxoacetate
CasNumber:
668969-68-4
MolecularFormula:
C10H8BrFO3
MolecularWeight:
275.0711232
MdlNumber:
MFCD22375106
Smiles:
CCOC(=O)C(=O)c1cc(Br)ccc1F
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.8
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Smiles: O=C1NC(=O)C2(N1)CCS(=O)(=O)c1c2cc(F)cc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
O=C1NC(=O)C2(N1)CCS(=O)(=O)c1c2cc(F)cc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1ccccc1CNC(=S)N
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1ccccc1CNC(=S)N
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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MolecularFormula: __
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Smiles: NC(=S)NCC1CCCCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=S)NCC1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__