AB75963
1133115-60-2 | Methyl 5-bromo-4-chloro-8-methylquinoline-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB75963
ChemicalName
Methyl 5-bromo-4-chloro-8-methylquinoline-2-carboxylate
CasNumber
1133115-60-2
MolecularFormula
C12H9BrClNO2
MolecularWeight
314.5624
MdlNumber
MFCD11855876
Smiles
COC(=O)c1cc(Cl)c2c(n1)c(C)ccc2Br
Complexity
302
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
4.1
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CatalogNumber: AB75963
ChemicalName: Methyl 5-bromo-4-chloro-8-methylquinoline-2-carboxylate
CasNumber: 1133115-60-2
MolecularFormula: C12H9BrClNO2
MolecularWeight: 314.5624
MdlNumber: MFCD11855876
Smiles: COC(=O)c1cc(Cl)c2c(n1)c(C)ccc2Br
Complexity: 302
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 4.1
CatalogNumber:
AB75963
ChemicalName:
Methyl 5-bromo-4-chloro-8-methylquinoline-2-carboxylate
CasNumber:
1133115-60-2
MolecularFormula:
C12H9BrClNO2
MolecularWeight:
314.5624
MdlNumber:
MFCD11855876
Smiles:
COC(=O)c1cc(Cl)c2c(n1)c(C)ccc2Br
Complexity:
302
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
4.1
CatalogNumber: AB75964
ChemicalName: Methyl 5-bromo-4-methoxy-2-methylbenzoate
CasNumber: 1131587-94-4
MolecularFormula: C10H11BrO3
MolecularWeight: 259.0965
MdlNumber: MFCD11112987
Smiles: COC(=O)c1cc(Br)c(cc1C)OC
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AB75964
ChemicalName:
Methyl 5-bromo-4-methoxy-2-methylbenzoate
CasNumber:
1131587-94-4
MolecularFormula:
C10H11BrO3
MolecularWeight:
259.0965
MdlNumber:
MFCD11112987
Smiles:
COC(=O)c1cc(Br)c(cc1C)OC
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: AB75965
ChemicalName: Methyl 5-bromo-8-methyl-4-oxo-1,4-dihydroquinoline-2-carboxylate
CasNumber: 1133116-21-8
MolecularFormula: C12H10BrNO3
MolecularWeight: 296.1167
MdlNumber: MFCD11855939
Smiles: COC(=O)c1cc(=O)c2c([nH]1)c(C)ccc2Br
Complexity: 380
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AB75965
ChemicalName:
Methyl 5-bromo-8-methyl-4-oxo-1,4-dihydroquinoline-2-carboxylate
CasNumber:
1133116-21-8
MolecularFormula:
C12H10BrNO3
MolecularWeight:
296.1167
MdlNumber:
MFCD11855939
Smiles:
COC(=O)c1cc(=O)c2c([nH]1)c(C)ccc2Br
Complexity:
380
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: AB75966
ChemicalName: Methyl 5-bromosalicylate
CasNumber: 4068-76-2
MolecularFormula: C8H7BrO3
MolecularWeight: 231.0434
MdlNumber: MFCD00016460
Smiles: COC(=O)c1cc(Br)ccc1O
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.6
CatalogNumber:
AB75966
ChemicalName:
Methyl 5-bromosalicylate
CasNumber:
4068-76-2
MolecularFormula:
C8H7BrO3
MolecularWeight:
231.0434
MdlNumber:
MFCD00016460
Smiles:
COC(=O)c1cc(Br)ccc1O
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.6