AD77653
1065074-53-4 | Methyl 6,8-difluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD77653
ChemicalName
Methyl 6,8-difluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate
CasNumber
1065074-53-4
MolecularFormula
C11H7F2NO3
MolecularWeight
239.175
MdlNumber
MFCD11053876
Smiles
COC(=O)c1cc(=O)c2c([nH]1)c(F)cc(c2)F
Complexity
383
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AD77653
ChemicalName: Methyl 6,8-difluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate
CasNumber: 1065074-53-4
MolecularFormula: C11H7F2NO3
MolecularWeight: 239.175
MdlNumber: MFCD11053876
Smiles: COC(=O)c1cc(=O)c2c([nH]1)c(F)cc(c2)F
Complexity: 383
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AD77653
ChemicalName:
Methyl 6,8-difluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate
CasNumber:
1065074-53-4
MolecularFormula:
C11H7F2NO3
MolecularWeight:
239.175
MdlNumber:
MFCD11053876
Smiles:
COC(=O)c1cc(=O)c2c([nH]1)c(F)cc(c2)F
Complexity:
383
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(O)c2c(n1)c(ccc2)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(O)c2c(n1)c(ccc2)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD77655
ChemicalName: 1-(4-Bromo-3-trifluoromethylphenylsulfonyl)piperidine
CasNumber: 1065074-37-4
MolecularFormula: C12H13BrF3NO2S
MolecularWeight: 372.2013
MdlNumber: MFCD11053849
Smiles: Brc1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCCCC1
Complexity: 429
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AD77655
ChemicalName:
1-(4-Bromo-3-trifluoromethylphenylsulfonyl)piperidine
CasNumber:
1065074-37-4
MolecularFormula:
C12H13BrF3NO2S
MolecularWeight:
372.2013
MdlNumber:
MFCD11053849
Smiles:
Brc1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCCCC1
Complexity:
429
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1Cl)n1cn[nH]c1=O
Complexity: 269
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1Cl)n1cn[nH]c1=O
Complexity:
269
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9