AB76017
1072944-77-4 | Methyl 8-bromo-4-hydroxy-5-trifluoromethylquinoline-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB76017
ChemicalName
Methyl 8-bromo-4-hydroxy-5-trifluoromethylquinoline-2-carboxylate
CasNumber
1072944-77-4
MolecularFormula
C12H7BrF3NO3
MolecularWeight
350.0881
MdlNumber
MFCD11504926
Smiles
COC(=O)c1cc(O)c2c(n1)c(Br)ccc2C(F)(F)F
Complexity
463
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.2
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CatalogNumber: AB76017
ChemicalName: Methyl 8-bromo-4-hydroxy-5-trifluoromethylquinoline-2-carboxylate
CasNumber: 1072944-77-4
MolecularFormula: C12H7BrF3NO3
MolecularWeight: 350.0881
MdlNumber: MFCD11504926
Smiles: COC(=O)c1cc(O)c2c(n1)c(Br)ccc2C(F)(F)F
Complexity: 463
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AB76017
ChemicalName:
Methyl 8-bromo-4-hydroxy-5-trifluoromethylquinoline-2-carboxylate
CasNumber:
1072944-77-4
MolecularFormula:
C12H7BrF3NO3
MolecularWeight:
350.0881
MdlNumber:
MFCD11504926
Smiles:
COC(=O)c1cc(O)c2c(n1)c(Br)ccc2C(F)(F)F
Complexity:
463
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(O)c2c(n1)c(Br)ccc2F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(O)c2c(n1)c(Br)ccc2F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB76019
ChemicalName: Methyl 8-bromo-6-chloro-4-hydroxyquinoline-2-carboxylate
CasNumber: 1133116-01-4
MolecularFormula: C11H7BrClNO3
MolecularWeight: 316.5352
MdlNumber: MFCD11855927
Smiles: COC(=O)c1cc(O)c2c(n1)c(Br)cc(c2)Cl
Complexity: 385
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AB76019
ChemicalName:
Methyl 8-bromo-6-chloro-4-hydroxyquinoline-2-carboxylate
CasNumber:
1133116-01-4
MolecularFormula:
C11H7BrClNO3
MolecularWeight:
316.5352
MdlNumber:
MFCD11855927
Smiles:
COC(=O)c1cc(O)c2c(n1)c(Br)cc(c2)Cl
Complexity:
385
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: AB76020
ChemicalName: Methyl 8-bromo-6-fluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate
CasNumber: 442549-68-0
MolecularFormula: C11H7BrFNO3
MolecularWeight: 300.0806
MdlNumber: MFCD11053778
Smiles: COC(=O)c1cc(=O)c2c([nH]1)c(Br)cc(c2)F
Complexity: 385
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AB76020
ChemicalName:
Methyl 8-bromo-6-fluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate
CasNumber:
442549-68-0
MolecularFormula:
C11H7BrFNO3
MolecularWeight:
300.0806
MdlNumber:
MFCD11053778
Smiles:
COC(=O)c1cc(=O)c2c([nH]1)c(Br)cc(c2)F
Complexity:
385
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4