AI59468
886762-67-0 | 4-Iodo-3-(trifluoromethoxy)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI59468
ChemicalName
4-Iodo-3-(trifluoromethoxy)benzoic acid
CasNumber
886762-67-0
MolecularFormula
C8H4F3IO3
MolecularWeight
332.0152
MdlNumber
MFCD07368785
Smiles
Ic1ccc(cc1OC(F)(F)F)C(=O)O
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AI59468
ChemicalName: 4-Iodo-3-(trifluoromethoxy)benzoic acid
CasNumber: 886762-67-0
MolecularFormula: C8H4F3IO3
MolecularWeight: 332.0152
MdlNumber: MFCD07368785
Smiles: Ic1ccc(cc1OC(F)(F)F)C(=O)O
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AI59468
ChemicalName:
4-Iodo-3-(trifluoromethoxy)benzoic acid
CasNumber:
886762-67-0
MolecularFormula:
C8H4F3IO3
MolecularWeight:
332.0152
MdlNumber:
MFCD07368785
Smiles:
Ic1ccc(cc1OC(F)(F)F)C(=O)O
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: AI59469
ChemicalName: 2-Bromo-2',3'-difluoroacetophenone
CasNumber: 886762-77-2
MolecularFormula: C8H5BrF2O
MolecularWeight: 235.02550639999993
MdlNumber: MFCD07368687
Smiles: Fc1c(cccc1F)C(=O)CBr
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AI59469
ChemicalName:
2-Bromo-2',3'-difluoroacetophenone
CasNumber:
886762-77-2
MolecularFormula:
C8H5BrF2O
MolecularWeight:
235.02550639999993
MdlNumber:
MFCD07368687
Smiles:
Fc1c(cccc1F)C(=O)CBr
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCC(=O)c1c(F)ccc(c1F)F
Complexity: 200
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCC(=O)c1c(F)ccc(c1F)F
Complexity:
200
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1CCOc2c1c(F)ccc2F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC1CCOc2c1c(F)ccc2F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__