AF01414
1449521-05-4 | (Triphenylphosphonio)difluoroacetate
Manufacturer: A2B Chem
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CatalogNumber
AF01414
ChemicalName
(Triphenylphosphonio)difluoroacetate
CasNumber
1449521-05-4
MolecularFormula
C20H15F2O2P
MolecularWeight
356.3025
MdlNumber
MFCD28359690
Smiles
[O-]C(=O)C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)(F)F
Complexity
400
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
5.6
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CatalogNumber: AF01414
ChemicalName: (Triphenylphosphonio)difluoroacetate
CasNumber: 1449521-05-4
MolecularFormula: C20H15F2O2P
MolecularWeight: 356.3025
MdlNumber: MFCD28359690
Smiles: [O-]C(=O)C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)(F)F
Complexity: 400
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 5.6
CatalogNumber:
AF01414
ChemicalName:
(Triphenylphosphonio)difluoroacetate
CasNumber:
1449521-05-4
MolecularFormula:
C20H15F2O2P
MolecularWeight:
356.3025
MdlNumber:
MFCD28359690
Smiles:
[O-]C(=O)C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)(F)F
Complexity:
400
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
5.6
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Smiles: COC(=O)C(C1CCSS1)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
COC(=O)C(C1CCSS1)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: C1=CC(=C(C=C1F)C(=O)C2=C(C=CN=C2)C(=O)O)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
C1=CC(=C(C=C1F)C(=O)C2=C(C=CN=C2)C(=O)O)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C1CCc2c1[nH]c1c2cccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCc2c1[nH]c1c2cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__