AB05684
204782-96-7 | 8-Bromo-5-quinolinecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB05684
ChemicalName
8-Bromo-5-quinolinecarboxylic acid
CasNumber
204782-96-7
MolecularFormula
C10H6BrNO2
MolecularWeight
252.0641
MdlNumber
MFCD12963555
Smiles
OC(=O)c1ccc(c2c1cccn2)Br
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AB05684
ChemicalName: 8-Bromo-5-quinolinecarboxylic acid
CasNumber: 204782-96-7
MolecularFormula: C10H6BrNO2
MolecularWeight: 252.0641
MdlNumber: MFCD12963555
Smiles: OC(=O)c1ccc(c2c1cccn2)Br
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AB05684
ChemicalName:
8-Bromo-5-quinolinecarboxylic acid
CasNumber:
204782-96-7
MolecularFormula:
C10H6BrNO2
MolecularWeight:
252.0641
MdlNumber:
MFCD12963555
Smiles:
OC(=O)c1ccc(c2c1cccn2)Br
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: AB05685
ChemicalName: 8-Fluoroquinoline-5-carboxylic acid
CasNumber: 204782-93-4
MolecularFormula: C10H6FNO2
MolecularWeight: 191.1585
MdlNumber: MFCD20658731
Smiles: OC(=O)c1ccc(c2c1cccn2)F
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AB05685
ChemicalName:
8-Fluoroquinoline-5-carboxylic acid
CasNumber:
204782-93-4
MolecularFormula:
C10H6FNO2
MolecularWeight:
191.1585
MdlNumber:
MFCD20658731
Smiles:
OC(=O)c1ccc(c2c1cccn2)F
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.8
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Smiles: COc1c(O)cccc1C(=O)C
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Smiles:
COc1c(O)cccc1C(=O)C
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Smiles: CCOC(=O)C(=CNc1cc(nn1C)C)C(=O)OCC
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Smiles:
CCOC(=O)C(=CNc1cc(nn1C)C)C(=O)OCC
Complexity:
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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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