AB48144
79427-88-6 | 2-Hydroxy-5-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48144
ChemicalName
2-Hydroxy-5-(trifluoromethyl)benzoic acid
CasNumber
79427-88-6
MolecularFormula
C8H5F3O3
MolecularWeight
206.1187
MdlNumber
MFCD07787570
Smiles
OC(=O)c1cc(ccc1O)C(F)(F)F
Complexity
226
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
3.3
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CatalogNumber: AB48144
ChemicalName: 2-Hydroxy-5-(trifluoromethyl)benzoic acid
CasNumber: 79427-88-6
MolecularFormula: C8H5F3O3
MolecularWeight: 206.1187
MdlNumber: MFCD07787570
Smiles: OC(=O)c1cc(ccc1O)C(F)(F)F
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 3.3
CatalogNumber:
AB48144
ChemicalName:
2-Hydroxy-5-(trifluoromethyl)benzoic acid
CasNumber:
79427-88-6
MolecularFormula:
C8H5F3O3
MolecularWeight:
206.1187
MdlNumber:
MFCD07787570
Smiles:
OC(=O)c1cc(ccc1O)C(F)(F)F
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(=O)CCC(=O)OC.Cl
Complexity: 133
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC(=O)CCC(=O)OC.Cl
Complexity:
133
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=C)C(=O)O
Complexity: 83.5
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=C)C(=O)O
Complexity:
83.5
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CB1OB(C)OB(O1)C
Complexity: 69.3
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CB1OB(C)OB(O1)C
Complexity:
69.3
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__