AC48068
773874-13-8 | Methyl 5-bromo-2-(trifluoromethoxy)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AC48068
ChemicalName
Methyl 5-bromo-2-(trifluoromethoxy)benzoate
CasNumber
773874-13-8
MolecularFormula
C9H6BrF3O3
MolecularWeight
299.0413
MdlNumber
MFCD06203799
Smiles
COC(=O)c1cc(Br)ccc1OC(F)(F)F
Complexity
257
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
RotatableBondCount
3
Xlogp3
3.6
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CatalogNumber: AC48068
ChemicalName: Methyl 5-bromo-2-(trifluoromethoxy)benzoate
CasNumber: 773874-13-8
MolecularFormula: C9H6BrF3O3
MolecularWeight: 299.0413
MdlNumber: MFCD06203799
Smiles: COC(=O)c1cc(Br)ccc1OC(F)(F)F
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AC48068
ChemicalName:
Methyl 5-bromo-2-(trifluoromethoxy)benzoate
CasNumber:
773874-13-8
MolecularFormula:
C9H6BrF3O3
MolecularWeight:
299.0413
MdlNumber:
MFCD06203799
Smiles:
COC(=O)c1cc(Br)ccc1OC(F)(F)F
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
3.6
CatalogNumber: AC48069
ChemicalName: Methyl 3-chloro-2-fluorobenzoate
CasNumber: 773874-05-8
MolecularFormula: C8H6ClFO2
MolecularWeight: 188.5834432
MdlNumber: MFCD06203787
Smiles: COC(=O)c1cccc(c1F)Cl
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AC48069
ChemicalName:
Methyl 3-chloro-2-fluorobenzoate
CasNumber:
773874-05-8
MolecularFormula:
C8H6ClFO2
MolecularWeight:
188.5834432
MdlNumber:
MFCD06203787
Smiles:
COC(=O)c1cccc(c1F)Cl
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc2c(c1)OC(O2)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc2c(c1)OC(O2)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(c(c1)C(=O)O)S(=O)(=O)C
Complexity: 319
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(c(c1)C(=O)O)S(=O)(=O)C
Complexity:
319
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.8