AG19747
5350-94-7 | Ethyl 7-chloro-4-hydroxy-8-methylquinoline-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG19747
ChemicalName
Ethyl 7-chloro-4-hydroxy-8-methylquinoline-3-carboxylate
CasNumber
5350-94-7
MolecularFormula
C13H12ClNO3
MolecularWeight
265.6923
MdlNumber
MFCD00173377
Smiles
Cc1c(Cl)ccc2c1ncc(c2O)C(=O)OCC
NscNumber
83
Complexity
394
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3
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CatalogNumber: AG19747
ChemicalName: Ethyl 7-chloro-4-hydroxy-8-methylquinoline-3-carboxylate
CasNumber: 5350-94-7
MolecularFormula: C13H12ClNO3
MolecularWeight: 265.6923
MdlNumber: MFCD00173377
Smiles: Cc1c(Cl)ccc2c1ncc(c2O)C(=O)OCC
NscNumber: 83
Complexity: 394
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AG19747
ChemicalName:
Ethyl 7-chloro-4-hydroxy-8-methylquinoline-3-carboxylate
CasNumber:
5350-94-7
MolecularFormula:
C13H12ClNO3
MolecularWeight:
265.6923
MdlNumber:
MFCD00173377
Smiles:
Cc1c(Cl)ccc2c1ncc(c2O)C(=O)OCC
NscNumber:
83
Complexity:
394
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3
CatalogNumber: AG19748
ChemicalName: 1-Benzyl-4-bromo-1H-pyrazole
CasNumber: 50877-41-3
MolecularFormula: C10H9BrN2
MolecularWeight: 237.0959
MdlNumber: MFCD02179566
Smiles: Brc1cnn(c1)Cc1ccccc1
NscNumber: __
Complexity: 157
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AG19748
ChemicalName:
1-Benzyl-4-bromo-1H-pyrazole
CasNumber:
50877-41-3
MolecularFormula:
C10H9BrN2
MolecularWeight:
237.0959
MdlNumber:
MFCD02179566
Smiles:
Brc1cnn(c1)Cc1ccccc1
NscNumber:
__
Complexity:
157
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: AG19749
ChemicalName: Ethyl indole-4-carboxylate
CasNumber: 50614-84-1
MolecularFormula: C11H11NO2
MolecularWeight: 189.2105
MdlNumber: MFCD00009738
Smiles: CCOC(=O)c1cccc2c1cc[nH]2
NscNumber: __
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AG19749
ChemicalName:
Ethyl indole-4-carboxylate
CasNumber:
50614-84-1
MolecularFormula:
C11H11NO2
MolecularWeight:
189.2105
MdlNumber:
MFCD00009738
Smiles:
CCOC(=O)c1cccc2c1cc[nH]2
NscNumber:
__
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: AG19750
ChemicalName: tert-Butyl 5-bromo-2-chlorobenzoate
CasNumber: 503555-23-5
MolecularFormula: C11H12BrClO2
MolecularWeight: 291.5688
MdlNumber: MFCD09800903
Smiles: O=C(c1cc(Br)ccc1Cl)OC(C)(C)C
NscNumber: __
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 4.2
CatalogNumber:
AG19750
ChemicalName:
tert-Butyl 5-bromo-2-chlorobenzoate
CasNumber:
503555-23-5
MolecularFormula:
C11H12BrClO2
MolecularWeight:
291.5688
MdlNumber:
MFCD09800903
Smiles:
O=C(c1cc(Br)ccc1Cl)OC(C)(C)C
NscNumber:
__
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
4.2