AD17367
947144-28-7 | Ethyl 6-(trifluoromethyl)-1,2-dihydro-4-hydroxy-2-oxopyridine-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD17367
ChemicalName
Ethyl 6-(trifluoromethyl)-1,2-dihydro-4-hydroxy-2-oxopyridine-3-carboxylate
CasNumber
947144-28-7
MolecularFormula
C9H8F3NO4
MolecularWeight
251.1593
MdlNumber
MFCD23135552
Smiles
CCOC(=O)c1c(O)cc(nc1O)C(F)(F)F
Complexity
422
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.4
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CatalogNumber: AD17367
ChemicalName: Ethyl 6-(trifluoromethyl)-1,2-dihydro-4-hydroxy-2-oxopyridine-3-carboxylate
CasNumber: 947144-28-7
MolecularFormula: C9H8F3NO4
MolecularWeight: 251.1593
MdlNumber: MFCD23135552
Smiles: CCOC(=O)c1c(O)cc(nc1O)C(F)(F)F
Complexity: 422
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AD17367
ChemicalName:
Ethyl 6-(trifluoromethyl)-1,2-dihydro-4-hydroxy-2-oxopyridine-3-carboxylate
CasNumber:
947144-28-7
MolecularFormula:
C9H8F3NO4
MolecularWeight:
251.1593
MdlNumber:
MFCD23135552
Smiles:
CCOC(=O)c1c(O)cc(nc1O)C(F)(F)F
Complexity:
422
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.4
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Smiles: CSc1cc(Br)ccc1CO
Complexity: __
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Smiles:
CSc1cc(Br)ccc1CO
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Smiles: COC(=O)c1cc2nc[nH]c2c(c1N)F
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COC(=O)c1cc2nc[nH]c2c(c1N)F
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Smiles: COc1ccc(c(c1)C(=O)C1CC1)O
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Smiles:
COc1ccc(c(c1)C(=O)C1CC1)O
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:
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Xlogp3:
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