AI56527
79538-28-6 | Methyl 2,4,6-trifluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI56527
ChemicalName
Methyl 2,4,6-trifluorobenzoate
CasNumber
79538-28-6
MolecularFormula
C8H5F3O2
MolecularWeight
190.1193
MdlNumber
MFCD01090991
Smiles
COC(=O)c1c(F)cc(cc1F)F
Complexity
186
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AI56527
ChemicalName: Methyl 2,4,6-trifluorobenzoate
CasNumber: 79538-28-6
MolecularFormula: C8H5F3O2
MolecularWeight: 190.1193
MdlNumber: MFCD01090991
Smiles: COC(=O)c1c(F)cc(cc1F)F
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AI56527
ChemicalName:
Methyl 2,4,6-trifluorobenzoate
CasNumber:
79538-28-6
MolecularFormula:
C8H5F3O2
MolecularWeight:
190.1193
MdlNumber:
MFCD01090991
Smiles:
COC(=O)c1c(F)cc(cc1F)F
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: O=C([C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)Cl)OCc1c(F)c(F)c(c(c1F)F)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C([C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)Cl)OCc1c(F)c(F)c(c(c1F)F)C
Complexity:
__
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Smiles: Cc1c(cccc1O)OCc1ccccc1
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Smiles:
Cc1c(cccc1O)OCc1ccccc1
Complexity:
__
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Smiles: CC(=O)OC[C@H]1OC(=O)[C@@H]([C@H]1OC(=O)C)OC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OC[C@H]1OC(=O)[C@@H]([C@H]1OC(=O)C)OC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__