AB73832
77779-49-8 | Ethyl 4-chloro-6-fluoroquinoline-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB73832
ChemicalName
Ethyl 4-chloro-6-fluoroquinoline-3-carboxylate
CasNumber
77779-49-8
MolecularFormula
C12H9ClFNO2
MolecularWeight
253.6568
MdlNumber
MFCD00173350
Smiles
CCOC(=O)c1cnc2c(c1Cl)cc(cc2)F
Complexity
290
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
3.1
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CatalogNumber: AB73832
ChemicalName: Ethyl 4-chloro-6-fluoroquinoline-3-carboxylate
CasNumber: 77779-49-8
MolecularFormula: C12H9ClFNO2
MolecularWeight: 253.6568
MdlNumber: MFCD00173350
Smiles: CCOC(=O)c1cnc2c(c1Cl)cc(cc2)F
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AB73832
ChemicalName:
Ethyl 4-chloro-6-fluoroquinoline-3-carboxylate
CasNumber:
77779-49-8
MolecularFormula:
C12H9ClFNO2
MolecularWeight:
253.6568
MdlNumber:
MFCD00173350
Smiles:
CCOC(=O)c1cnc2c(c1Cl)cc(cc2)F
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: AB73833
ChemicalName: Ethyl 4-chloro-6-methyl-2-(methylthio)pyrimidine-5-carboxylate
CasNumber: 583878-42-6
MolecularFormula: C9H11ClN2O2S
MolecularWeight: 246.7138
MdlNumber: MFCD08063161
Smiles: CCOC(=O)c1c(C)nc(nc1Cl)SC
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 2.6
CatalogNumber:
AB73833
ChemicalName:
Ethyl 4-chloro-6-methyl-2-(methylthio)pyrimidine-5-carboxylate
CasNumber:
583878-42-6
MolecularFormula:
C9H11ClN2O2S
MolecularWeight:
246.7138
MdlNumber:
MFCD08063161
Smiles:
CCOC(=O)c1c(C)nc(nc1Cl)SC
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
2.6
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Smiles: CCOC(=O)c1cnc2c(c1Cl)ccc(c2C)C
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Smiles: CCOC(=O)c1cnc2c(c1Cl)cccc2C#N
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCOC(=O)c1cnc2c(c1Cl)cccc2C#N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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