AB48901
585-50-2 | 3-(3-Trifluoromethylphenyl)propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48901
ChemicalName
3-(3-Trifluoromethylphenyl)propionic acid
CasNumber
585-50-2
MolecularFormula
C10H9F3O2
MolecularWeight
218.1725
MdlNumber
MFCD00090487
Smiles
OC(=O)CCc1cccc(c1)C(F)(F)F
Complexity
225
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.7
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CatalogNumber: AB48901
ChemicalName: 3-(3-Trifluoromethylphenyl)propionic acid
CasNumber: 585-50-2
MolecularFormula: C10H9F3O2
MolecularWeight: 218.1725
MdlNumber: MFCD00090487
Smiles: OC(=O)CCc1cccc(c1)C(F)(F)F
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AB48901
ChemicalName:
3-(3-Trifluoromethylphenyl)propionic acid
CasNumber:
585-50-2
MolecularFormula:
C10H9F3O2
MolecularWeight:
218.1725
MdlNumber:
MFCD00090487
Smiles:
OC(=O)CCc1cccc(c1)C(F)(F)F
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.7
CatalogNumber: AB48902
ChemicalName: 4-Bromo-1-naphthalenol
CasNumber: 571-57-3
MolecularFormula: C10H7BrO
MolecularWeight: 223.066
MdlNumber: MFCD03129265
Smiles: Brc1ccc(c2c1cccc2)O
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 4
CatalogNumber:
AB48902
ChemicalName:
4-Bromo-1-naphthalenol
CasNumber:
571-57-3
MolecularFormula:
C10H7BrO
MolecularWeight:
223.066
MdlNumber:
MFCD03129265
Smiles:
Brc1ccc(c2c1cccc2)O
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1OC(=O)C2C1CCC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1OC(=O)C2C1CCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCN(CC1)c1ccc(nc1)N)OC(C)(C)C
Complexity: 335
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCN(CC1)c1ccc(nc1)N)OC(C)(C)C
Complexity:
335
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.3