AA21856
1158763-52-0 | 5-(2-Trifluoromethylphenyl)picolinic acid
Manufacturer: A2B Chem
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CatalogNumber
AA21856
ChemicalName
5-(2-Trifluoromethylphenyl)picolinic acid
CasNumber
1158763-52-0
MolecularFormula
C13H8F3NO2
MolecularWeight
267.2033
MdlNumber
MFCD12406461
Smiles
OC(=O)c1ccc(cn1)c1ccccc1C(F)(F)F
Complexity
332
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.2
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CatalogNumber: AA21856
ChemicalName: 5-(2-Trifluoromethylphenyl)picolinic acid
CasNumber: 1158763-52-0
MolecularFormula: C13H8F3NO2
MolecularWeight: 267.2033
MdlNumber: MFCD12406461
Smiles: OC(=O)c1ccc(cn1)c1ccccc1C(F)(F)F
Complexity: 332
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AA21856
ChemicalName:
5-(2-Trifluoromethylphenyl)picolinic acid
CasNumber:
1158763-52-0
MolecularFormula:
C13H8F3NO2
MolecularWeight:
267.2033
MdlNumber:
MFCD12406461
Smiles:
OC(=O)c1ccc(cn1)c1ccccc1C(F)(F)F
Complexity:
332
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)c1ccc2c(c1)NCC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)c1ccc2c(c1)NCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA21858
ChemicalName: 3-Methyltetrahydrofuran-3-carboxylic acid
CasNumber: 1158760-45-2
MolecularFormula: C6H10O3
MolecularWeight: 130.1418
MdlNumber: MFCD12406628
Smiles: OC(=O)C1(C)COCC1
Complexity: 132
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.1
CatalogNumber:
AA21858
ChemicalName:
3-Methyltetrahydrofuran-3-carboxylic acid
CasNumber:
1158760-45-2
MolecularFormula:
C6H10O3
MolecularWeight:
130.1418
MdlNumber:
MFCD12406628
Smiles:
OC(=O)C1(C)COCC1
Complexity:
132
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC1(COCC1)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC1(COCC1)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__