AE03262
80194-69-0 | 5-(Trifluoromethyl)picolinic acid
Manufacturer: A2B Chem
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CatalogNumber
AE03262
ChemicalName
5-(Trifluoromethyl)picolinic acid
CasNumber
80194-69-0
MolecularFormula
C7H4F3NO2
MolecularWeight
191.1074
MdlNumber
MFCD04113632
Smiles
OC(=O)c1ccc(cn1)C(F)(F)F
Complexity
204
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.6
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CatalogNumber: AE03262
ChemicalName: 5-(Trifluoromethyl)picolinic acid
CasNumber: 80194-69-0
MolecularFormula: C7H4F3NO2
MolecularWeight: 191.1074
MdlNumber: MFCD04113632
Smiles: OC(=O)c1ccc(cn1)C(F)(F)F
Complexity: 204
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AE03262
ChemicalName:
5-(Trifluoromethyl)picolinic acid
CasNumber:
80194-69-0
MolecularFormula:
C7H4F3NO2
MolecularWeight:
191.1074
MdlNumber:
MFCD04113632
Smiles:
OC(=O)c1ccc(cn1)C(F)(F)F
Complexity:
204
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(/C=C(/CO)C)CC=C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(/C=C(/CO)C)CC=C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC1=C[C@H]2[C@@H]3C([C@]3(OC(=O)C)[C@@H]([C@H]([C@@]2([C@H]2[C@@](C1)(O)C(=O)C(=C2)C)O)C)OC(=O)/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC1=C[C@H]2[C@@H]3C([C@]3(OC(=O)C)[C@@H]([C@H]([C@@]2([C@H]2[C@@](C1)(O)C(=O)C(=C2)C)O)C)OC(=O)/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)cccc1N)NCCNCCO
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)cccc1N)NCCNCCO
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__