AA02611
100501-62-0 | Ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA02611
ChemicalName
Ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate
CasNumber
100501-62-0
MolecularFormula
C14H12F3NO3
MolecularWeight
299.2452
MdlNumber
MFCD00276022
Smiles
CCOC(=O)c1cn(CC)c2c(c1=O)cc(c(c2F)F)F
Complexity
468
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
7
RotatableBondCount
4
Xlogp3
1.9
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CatalogNumber: AA02611
ChemicalName: Ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate
CasNumber: 100501-62-0
MolecularFormula: C14H12F3NO3
MolecularWeight: 299.2452
MdlNumber: MFCD00276022
Smiles: CCOC(=O)c1cn(CC)c2c(c1=O)cc(c(c2F)F)F
Complexity: 468
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 7
RotatableBondCount: 4
Xlogp3: 1.9
CatalogNumber:
AA02611
ChemicalName:
Ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate
CasNumber:
100501-62-0
MolecularFormula:
C14H12F3NO3
MolecularWeight:
299.2452
MdlNumber:
MFCD00276022
Smiles:
CCOC(=O)c1cn(CC)c2c(c1=O)cc(c(c2F)F)F
Complexity:
468
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
7
RotatableBondCount:
4
Xlogp3:
1.9
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Smiles: Cn1cc2c(n1)CCNC2
Complexity: __
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Smiles:
Cn1cc2c(n1)CCNC2
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C(N1CCc2c(C1)cn(n2)C)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCc2c(C1)cn(n2)C)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCc2c(C1)cnn2C)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCc2c(C1)cnn2C)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__