AD50501
328-90-5 | 2-Hydroxy-4-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD50501
ChemicalName
2-Hydroxy-4-(trifluoromethyl)benzoic acid
CasNumber
328-90-5
MolecularFormula
C8H5F3O3
MolecularWeight
206.11870960000002
MdlNumber
MFCD01529657
Smiles
OC(=O)c1ccc(cc1O)C(F)(F)F
Complexity
226
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
3.5
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CatalogNumber: AD50501
ChemicalName: 2-Hydroxy-4-(trifluoromethyl)benzoic acid
CasNumber: 328-90-5
MolecularFormula: C8H5F3O3
MolecularWeight: 206.11870960000002
MdlNumber: MFCD01529657
Smiles: OC(=O)c1ccc(cc1O)C(F)(F)F
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 3.5
CatalogNumber:
AD50501
ChemicalName:
2-Hydroxy-4-(trifluoromethyl)benzoic acid
CasNumber:
328-90-5
MolecularFormula:
C8H5F3O3
MolecularWeight:
206.11870960000002
MdlNumber:
MFCD01529657
Smiles:
OC(=O)c1ccc(cc1O)C(F)(F)F
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: [O-][N+](=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
[O-][N+](=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: [O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[C@@H]1OC(C(=O)O)[C@H]([C@@H]([C@@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[C@@H]1OC(C(=O)O)[C@H]([C@@H]([C@@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C#Cc1cc2ccccc2c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C#Cc1cc2ccccc2c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__