AB44748
461-84-7 | 4-(Trifluoromethylthio)phenol
Manufacturer: A2B Chem
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CatalogNumber
AB44748
ChemicalName
4-(Trifluoromethylthio)phenol
CasNumber
461-84-7
MolecularFormula
C7H5F3OS
MolecularWeight
194.1742
MdlNumber
MFCD00036035
Smiles
FC(Sc1ccc(cc1)O)(F)F
Complexity
140
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.3
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CatalogNumber: AB44748
ChemicalName: 4-(Trifluoromethylthio)phenol
CasNumber: 461-84-7
MolecularFormula: C7H5F3OS
MolecularWeight: 194.1742
MdlNumber: MFCD00036035
Smiles: FC(Sc1ccc(cc1)O)(F)F
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.3
CatalogNumber:
AB44748
ChemicalName:
4-(Trifluoromethylthio)phenol
CasNumber:
461-84-7
MolecularFormula:
C7H5F3OS
MolecularWeight:
194.1742
MdlNumber:
MFCD00036035
Smiles:
FC(Sc1ccc(cc1)O)(F)F
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.3
CatalogNumber: AB44749
ChemicalName: Ethyl 4,6-dihydroxynicotinate
CasNumber: 6975-44-6
MolecularFormula: C8H9NO4
MolecularWeight: 183.1614
MdlNumber: MFCD00834976
Smiles: CCOC(=O)c1c[nH]c(=O)cc1O
Complexity: 303
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.1
CatalogNumber:
AB44749
ChemicalName:
Ethyl 4,6-dihydroxynicotinate
CasNumber:
6975-44-6
MolecularFormula:
C8H9NO4
MolecularWeight:
183.1614
MdlNumber:
MFCD00834976
Smiles:
CCOC(=O)c1c[nH]c(=O)cc1O
Complexity:
303
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.1
CatalogNumber: AB44750
ChemicalName: 4,4,4-Trifluoro-1-butanol
CasNumber: 461-18-7
MolecularFormula: C4H7F3O
MolecularWeight: 128.093
MdlNumber: MFCD00041483
Smiles: OCCCC(F)(F)F
Complexity: 58.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AB44750
ChemicalName:
4,4,4-Trifluoro-1-butanol
CasNumber:
461-18-7
MolecularFormula:
C4H7F3O
MolecularWeight:
128.093
MdlNumber:
MFCD00041483
Smiles:
OCCCC(F)(F)F
Complexity:
58.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.9
CatalogNumber: AB44751
ChemicalName: 5-Methylfuran-2-boronic acid, pinacol ester
CasNumber: 338998-93-9
MolecularFormula: C11H17BO3
MolecularWeight: 208.0619
MdlNumber: MFCD03094689
Smiles: Cc1ccc(o1)B1OC(C(O1)(C)C)(C)C
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB44751
ChemicalName:
5-Methylfuran-2-boronic acid, pinacol ester
CasNumber:
338998-93-9
MolecularFormula:
C11H17BO3
MolecularWeight:
208.0619
MdlNumber:
MFCD03094689
Smiles:
Cc1ccc(o1)B1OC(C(O1)(C)C)(C)C
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__