AB19686
209991-62-8 | 3,4,5-Trifluorophenylacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB19686
ChemicalName
3,4,5-Trifluorophenylacetic acid
CasNumber
209991-62-8
MolecularFormula
C8H5F3O2
MolecularWeight
190.1193096
MdlNumber
MFCD00083532
Smiles
OC(=O)Cc1cc(F)c(c(c1)F)F
Complexity
186
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AB19686
ChemicalName: 3,4,5-Trifluorophenylacetic acid
CasNumber: 209991-62-8
MolecularFormula: C8H5F3O2
MolecularWeight: 190.1193096
MdlNumber: MFCD00083532
Smiles: OC(=O)Cc1cc(F)c(c(c1)F)F
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AB19686
ChemicalName:
3,4,5-Trifluorophenylacetic acid
CasNumber:
209991-62-8
MolecularFormula:
C8H5F3O2
MolecularWeight:
190.1193096
MdlNumber:
MFCD00083532
Smiles:
OC(=O)Cc1cc(F)c(c(c1)F)F
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: AB19687
ChemicalName: Ly411575
CasNumber: 209984-57-6
MolecularFormula: C26H23F2N3O4
MolecularWeight: 479.4753
MdlNumber: MFCD09832551
Smiles: Fc1cc(F)cc(c1)[C@@H](C(=O)N[C@H](C(=O)N[C@H]1c2ccccc2-c2c(N(C1=O)C)cccc2)C)O
Complexity: 789
Covalently-bondedUnitCount: 1
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 5
Xlogp3: 3
CatalogNumber:
AB19687
ChemicalName:
Ly411575
CasNumber:
209984-57-6
MolecularFormula:
C26H23F2N3O4
MolecularWeight:
479.4753
MdlNumber:
MFCD09832551
Smiles:
Fc1cc(F)cc(c1)[C@@H](C(=O)N[C@H](C(=O)N[C@H]1c2ccccc2-c2c(N(C1=O)C)cccc2)C)O
Complexity:
789
Covalently-bondedUnitCount:
1
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
5
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: Fc1cc(cc(c1)F)CC(=O)N[C@H](C(=O)N[C@H]1c2ccccc2-c2c(N(C1=O)C)cccc2)C
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
Fc1cc(cc(c1)F)CC(=O)N[C@H](C(=O)N[C@H]1c2ccccc2-c2c(N(C1=O)C)cccc2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: N[C@@H]1C(=O)N(C)c2c(-c3c1cccc3)cccc2.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@@H]1C(=O)N(C)c2c(-c3c1cccc3)cccc2.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__