AI56709
81577-10-8 | 1-(3-Fluorophenyl)-2,2,2-trifluoroethanol
Manufacturer: A2B Chem
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CatalogNumber
AI56709
ChemicalName
1-(3-Fluorophenyl)-2,2,2-trifluoroethanol
CasNumber
81577-10-8
MolecularFormula
C8H6F4O
MolecularWeight
194.1263
MdlNumber
MFCD16067876
Smiles
Fc1cccc(c1)C(C(F)(F)F)O
Complexity
168
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
2.3
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CatalogNumber: AI56709
ChemicalName: 1-(3-Fluorophenyl)-2,2,2-trifluoroethanol
CasNumber: 81577-10-8
MolecularFormula: C8H6F4O
MolecularWeight: 194.1263
MdlNumber: MFCD16067876
Smiles: Fc1cccc(c1)C(C(F)(F)F)O
Complexity: 168
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.3
CatalogNumber:
AI56709
ChemicalName:
1-(3-Fluorophenyl)-2,2,2-trifluoroethanol
CasNumber:
81577-10-8
MolecularFormula:
C8H6F4O
MolecularWeight:
194.1263
MdlNumber:
MFCD16067876
Smiles:
Fc1cccc(c1)C(C(F)(F)F)O
Complexity:
168
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.3
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Smiles: CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]
Complexity: __
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Smiles:
CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]
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Smiles: CCOC(=O)c1cnc(nc1C)S
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Smiles:
CCOC(=O)c1cnc(nc1C)S
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Smiles: N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)Cc1ccccc1.Cl
Complexity: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)Cc1ccccc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__