AB76020
442549-68-0 | Methyl 8-bromo-6-fluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate
Manufacturer: A2B Chem
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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
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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
CatalogNumber: AB76021
ChemicalName: Methyl 8-chloro-4-hydroxyquinoline-2-carboxylate
CasNumber: 1065074-57-8
MolecularFormula: C11H8ClNO3
MolecularWeight: 237.6391
MdlNumber: MFCD11053822
Smiles: COC(=O)c1cc(O)c2c(n1)c(Cl)ccc2
Complexity: 353
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AB76021
ChemicalName:
Methyl 8-chloro-4-hydroxyquinoline-2-carboxylate
CasNumber:
1065074-57-8
MolecularFormula:
C11H8ClNO3
MolecularWeight:
237.6391
MdlNumber:
MFCD11053822
Smiles:
COC(=O)c1cc(O)c2c(n1)c(Cl)ccc2
Complexity:
353
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
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MolecularFormula: __
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Smiles: COC(=O)CCCCCCC(=O)Cl
Complexity: __
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HydrogenBondAcceptorCount: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COC(=O)CCCCCCC(=O)Cl
Complexity:
__
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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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