AB75840
88489-60-5 | Methyl 4-(trifluoromethylthio)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75840
ChemicalName
Methyl 4-(trifluoromethylthio)benzoate
CasNumber
88489-60-5
MolecularFormula
C9H7F3O2S
MolecularWeight
236.2109
MdlNumber
MFCD06203725
Smiles
COC(=O)c1ccc(cc1)SC(F)(F)F
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
RotatableBondCount
3
Xlogp3
4
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CatalogNumber: AB75840
ChemicalName: Methyl 4-(trifluoromethylthio)benzoate
CasNumber: 88489-60-5
MolecularFormula: C9H7F3O2S
MolecularWeight: 236.2109
MdlNumber: MFCD06203725
Smiles: COC(=O)c1ccc(cc1)SC(F)(F)F
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 4
CatalogNumber:
AB75840
ChemicalName:
Methyl 4-(trifluoromethylthio)benzoate
CasNumber:
88489-60-5
MolecularFormula:
C9H7F3O2S
MolecularWeight:
236.2109
MdlNumber:
MFCD06203725
Smiles:
COC(=O)c1ccc(cc1)SC(F)(F)F
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Complexity: 409
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Complexity:
409
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB75842
ChemicalName: Methyl 4,4,4-trifluoroacetoacetate
CasNumber: 83643-84-9
MolecularFormula: C5H5F3O3
MolecularWeight: 170.0866
MdlNumber: MFCD00041004
Smiles: COC(=O)CC(=O)C(F)(F)F
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AB75842
ChemicalName:
Methyl 4,4,4-trifluoroacetoacetate
CasNumber:
83643-84-9
MolecularFormula:
C5H5F3O3
MolecularWeight:
170.0866
MdlNumber:
MFCD00041004
Smiles:
COC(=O)CC(=O)C(F)(F)F
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C=CC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C=CC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__