AB76023
1187386-20-4 | Methyl 8-methyl-4-oxo-5-trifluoromethyl-1,4-dihydroquinoline-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB76023
ChemicalName
Methyl 8-methyl-4-oxo-5-trifluoromethyl-1,4-dihydroquinoline-2-carboxylate
CasNumber
1187386-20-4
MolecularFormula
C13H10F3NO3
MolecularWeight
285.2186
MdlNumber
MFCD12756446
Smiles
COC(=O)c1cc(=O)c2c([nH]1)c(C)ccc2C(F)(F)F
Complexity
458
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AB76023
ChemicalName: Methyl 8-methyl-4-oxo-5-trifluoromethyl-1,4-dihydroquinoline-2-carboxylate
CasNumber: 1187386-20-4
MolecularFormula: C13H10F3NO3
MolecularWeight: 285.2186
MdlNumber: MFCD12756446
Smiles: COC(=O)c1cc(=O)c2c([nH]1)c(C)ccc2C(F)(F)F
Complexity: 458
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AB76023
ChemicalName:
Methyl 8-methyl-4-oxo-5-trifluoromethyl-1,4-dihydroquinoline-2-carboxylate
CasNumber:
1187386-20-4
MolecularFormula:
C13H10F3NO3
MolecularWeight:
285.2186
MdlNumber:
MFCD12756446
Smiles:
COC(=O)c1cc(=O)c2c([nH]1)c(C)ccc2C(F)(F)F
Complexity:
458
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CC(=O)C
Complexity: 106
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CC(=O)C
Complexity:
106
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CCCCC(=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CCCCC(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSSCC=C
Complexity: 34.5
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSSCC=C
Complexity:
34.5
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.6