AC51615
71083-04-0 | Ethyl 4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AC51615
ChemicalName
Ethyl 4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate
CasNumber
71083-04-0
MolecularFormula
C13H10F3NO3
MolecularWeight
285.2186
MdlNumber
MFCD01080777
Smiles
CCOC(=O)c1c[nH]c2c(c1=O)ccc(c2)C(F)(F)F
NscNumber
96992
Complexity
445
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.9
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CatalogNumber: AC51615
ChemicalName: Ethyl 4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate
CasNumber: 71083-04-0
MolecularFormula: C13H10F3NO3
MolecularWeight: 285.2186
MdlNumber: MFCD01080777
Smiles: CCOC(=O)c1c[nH]c2c(c1=O)ccc(c2)C(F)(F)F
NscNumber: 96992
Complexity: 445
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AC51615
ChemicalName:
Ethyl 4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate
CasNumber:
71083-04-0
MolecularFormula:
C13H10F3NO3
MolecularWeight:
285.2186
MdlNumber:
MFCD01080777
Smiles:
CCOC(=O)c1c[nH]c2c(c1=O)ccc(c2)C(F)(F)F
NscNumber:
96992
Complexity:
445
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.9
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Smiles: OC(=O)c1cnc2c(c1)ccc(c2C)C
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OC(=O)c1cnc2c(c1)ccc(c2C)C
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Smiles: OC(=O)c1cnc2c(c1)cccc2Cl
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC(=O)c1cnc2c(c1)cccc2Cl
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cnc2c(c1)ccc(c2)C(F)(F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cnc2c(c1)ccc(c2)C(F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__