AA25828
123158-31-6 | Methyl 4-hydroxy-6-(trifluoromethyl)quinoline-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA25828
ChemicalName
Methyl 4-hydroxy-6-(trifluoromethyl)quinoline-2-carboxylate
CasNumber
123158-31-6
MolecularFormula
C12H8F3NO3
MolecularWeight
271.192
MdlNumber
MFCD00278339
Smiles
COC(=O)c1cc(=O)c2c([nH]1)ccc(c2)C(F)(F)F
Complexity
430
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AA25828
ChemicalName: Methyl 4-hydroxy-6-(trifluoromethyl)quinoline-2-carboxylate
CasNumber: 123158-31-6
MolecularFormula: C12H8F3NO3
MolecularWeight: 271.192
MdlNumber: MFCD00278339
Smiles: COC(=O)c1cc(=O)c2c([nH]1)ccc(c2)C(F)(F)F
Complexity: 430
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AA25828
ChemicalName:
Methyl 4-hydroxy-6-(trifluoromethyl)quinoline-2-carboxylate
CasNumber:
123158-31-6
MolecularFormula:
C12H8F3NO3
MolecularWeight:
271.192
MdlNumber:
MFCD00278339
Smiles:
COC(=O)c1cc(=O)c2c([nH]1)ccc(c2)C(F)(F)F
Complexity:
430
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
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Smiles: O=Cc1c[nH]c2c1cccc2.[Na]
Complexity: __
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Smiles:
O=Cc1c[nH]c2c1cccc2.[Na]
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Smiles: [Li+].[Li+].[O-][Ge](=O)[O-]
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Smiles:
[Li+].[Li+].[O-][Ge](=O)[O-]
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HydrogenBondAcceptorCount:
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Smiles: C[C@@](C(=O)O)(CC#C)N
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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Smiles:
C[C@@](C(=O)O)(CC#C)N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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