AB48898
5857-42-1 | 4-Methoxy-benzenesulfonic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48898
ChemicalName
4-Methoxy-benzenesulfonic acid
CasNumber
5857-42-1
MolecularFormula
C7H8O4S
MolecularWeight
188.201
MdlNumber
MFCD08685124
Smiles
COc1ccc(cc1)S(=O)(=O)O
Complexity
220
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.3
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CatalogNumber: AB48898
ChemicalName: 4-Methoxy-benzenesulfonic acid
CasNumber: 5857-42-1
MolecularFormula: C7H8O4S
MolecularWeight: 188.201
MdlNumber: MFCD08685124
Smiles: COc1ccc(cc1)S(=O)(=O)O
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.3
CatalogNumber:
AB48898
ChemicalName:
4-Methoxy-benzenesulfonic acid
CasNumber:
5857-42-1
MolecularFormula:
C7H8O4S
MolecularWeight:
188.201
MdlNumber:
MFCD08685124
Smiles:
COc1ccc(cc1)S(=O)(=O)O
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc2-c3c(C(=O)c2c1)cc(cc3)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc2-c3c(C(=O)c2c1)cc(cc3)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cc(nc2c1cccc2)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1cc(nc2c1cccc2)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB48901
ChemicalName: 3-(3-Trifluoromethylphenyl)propionic acid
CasNumber: 585-50-2
MolecularFormula: C10H9F3O2
MolecularWeight: 218.1725
MdlNumber: MFCD00090487
Smiles: OC(=O)CCc1cccc(c1)C(F)(F)F
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AB48901
ChemicalName:
3-(3-Trifluoromethylphenyl)propionic acid
CasNumber:
585-50-2
MolecularFormula:
C10H9F3O2
MolecularWeight:
218.1725
MdlNumber:
MFCD00090487
Smiles:
OC(=O)CCc1cccc(c1)C(F)(F)F
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.7