AF89844
35480-48-9 | 3-(2,2,2-Trifluoroethoxy)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF89844
ChemicalName
3-(2,2,2-Trifluoroethoxy)benzoic acid
CasNumber
35480-48-9
MolecularFormula
C9H7F3O3
MolecularWeight
220.1453
MdlNumber
MFCD04967196
Smiles
OC(=O)c1cccc(c1)OCC(F)(F)F
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.1
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CatalogNumber: AF89844
ChemicalName: 3-(2,2,2-Trifluoroethoxy)benzoic acid
CasNumber: 35480-48-9
MolecularFormula: C9H7F3O3
MolecularWeight: 220.1453
MdlNumber: MFCD04967196
Smiles: OC(=O)c1cccc(c1)OCC(F)(F)F
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AF89844
ChemicalName:
3-(2,2,2-Trifluoroethoxy)benzoic acid
CasNumber:
35480-48-9
MolecularFormula:
C9H7F3O3
MolecularWeight:
220.1453
MdlNumber:
MFCD04967196
Smiles:
OC(=O)c1cccc(c1)OCC(F)(F)F
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCc1cc(O)cc(c1C(=O)OCC)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCc1cc(O)cc(c1C(=O)OCC)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AF89846
ChemicalName: 1-Methylpyrrolidine-3-ethanol
CasNumber: 36763-96-9
MolecularFormula: C7H15NO
MolecularWeight: 129.2001
MdlNumber: MFCD17015913
Smiles: OCCC1CCN(C1)C
Complexity: 85
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.3
CatalogNumber:
AF89846
ChemicalName:
1-Methylpyrrolidine-3-ethanol
CasNumber:
36763-96-9
MolecularFormula:
C7H15NO
MolecularWeight:
129.2001
MdlNumber:
MFCD17015913
Smiles:
OCCC1CCN(C1)C
Complexity:
85
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)NCC(CCl)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)NCC(CCl)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__