AB67658
574-92-5 | 4-Hydroxy-7-trifluoromethyl-3-quinolinecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB67658
ChemicalName
4-Hydroxy-7-trifluoromethyl-3-quinolinecarboxylic acid
CasNumber
574-92-5
MolecularFormula
C11H6F3NO3
MolecularWeight
257.1654
MdlNumber
MFCD00006771
Smiles
OC(=O)c1cnc2c(c1O)ccc(c2)C(F)(F)F
Complexity
416
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
2.7
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CatalogNumber: AB67658
ChemicalName: 4-Hydroxy-7-trifluoromethyl-3-quinolinecarboxylic acid
CasNumber: 574-92-5
MolecularFormula: C11H6F3NO3
MolecularWeight: 257.1654
MdlNumber: MFCD00006771
Smiles: OC(=O)c1cnc2c(c1O)ccc(c2)C(F)(F)F
Complexity: 416
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.7
CatalogNumber:
AB67658
ChemicalName:
4-Hydroxy-7-trifluoromethyl-3-quinolinecarboxylic acid
CasNumber:
574-92-5
MolecularFormula:
C11H6F3NO3
MolecularWeight:
257.1654
MdlNumber:
MFCD00006771
Smiles:
OC(=O)c1cnc2c(c1O)ccc(c2)C(F)(F)F
Complexity:
416
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.7
CatalogNumber: AB67659
ChemicalName: 1H-Pyrrolo[2,3-b]pyridin-4-ol
CasNumber: 74420-02-3
MolecularFormula: C7H6N2O
MolecularWeight: 134.1353
MdlNumber: MFCD08272229
Smiles: Oc1ccnc2c1cc[nH]2
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
AB67659
ChemicalName:
1H-Pyrrolo[2,3-b]pyridin-4-ol
CasNumber:
74420-02-3
MolecularFormula:
C7H6N2O
MolecularWeight:
134.1353
MdlNumber:
MFCD08272229
Smiles:
Oc1ccnc2c1cc[nH]2
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
0.7
CatalogNumber: AB67660
ChemicalName: Bergaptol
CasNumber: 486-60-2
MolecularFormula: C11H6O4
MolecularWeight: 202.1629
MdlNumber: MFCD00210479
Smiles: O=c1ccc2c(o1)cc1c(c2O)cco1
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
AB67660
ChemicalName:
Bergaptol
CasNumber:
486-60-2
MolecularFormula:
C11H6O4
MolecularWeight:
202.1629
MdlNumber:
MFCD00210479
Smiles:
O=c1ccc2c(o1)cc1c(c2O)cco1
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(c2c1CCC2)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(c2c1CCC2)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__