AB78683
778-28-9 | P-Toluenesulfonic acid n-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB78683
ChemicalName
P-Toluenesulfonic acid n-butyl ester
CasNumber
778-28-9
MolecularFormula
C11H16O3S
MolecularWeight
228.3079
MdlNumber
MFCD00027203
Smiles
CCCCOS(=O)(=O)c1ccc(cc1)C
NscNumber
6190
Complexity
258
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
5
Xlogp3
2.7
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CatalogNumber: AB78683
ChemicalName: P-Toluenesulfonic acid n-butyl ester
CasNumber: 778-28-9
MolecularFormula: C11H16O3S
MolecularWeight: 228.3079
MdlNumber: MFCD00027203
Smiles: CCCCOS(=O)(=O)c1ccc(cc1)C
NscNumber: 6190
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 2.7
CatalogNumber:
AB78683
ChemicalName:
P-Toluenesulfonic acid n-butyl ester
CasNumber:
778-28-9
MolecularFormula:
C11H16O3S
MolecularWeight:
228.3079
MdlNumber:
MFCD00027203
Smiles:
CCCCOS(=O)(=O)c1ccc(cc1)C
NscNumber:
6190
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
2.7
CatalogNumber: AB78684
ChemicalName: P-Toluenesulfonic acid n-hexyl ester
CasNumber: 3839-35-8
MolecularFormula: C13H20O3S
MolecularWeight: 256.3611
MdlNumber: MFCD00059439
Smiles: CCCCCCOS(=O)(=O)c1ccc(cc1)C
NscNumber: 3219
Complexity: 284
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 7
Xlogp3: 3.8
CatalogNumber:
AB78684
ChemicalName:
P-Toluenesulfonic acid n-hexyl ester
CasNumber:
3839-35-8
MolecularFormula:
C13H20O3S
MolecularWeight:
256.3611
MdlNumber:
MFCD00059439
Smiles:
CCCCCCOS(=O)(=O)c1ccc(cc1)C
NscNumber:
3219
Complexity:
284
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
7
Xlogp3:
3.8
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Smiles: CCCCCCCCCCCCCCCCCCOS(=O)(=O)c1ccc(cc1)C
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Complexity: __
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HeavyAtomCount: __
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Smiles:
CCCCCCCCCCCCCCCCCCOS(=O)(=O)c1ccc(cc1)C
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCOS(=O)(=O)c1ccc(cc1)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCCCCCCCOS(=O)(=O)c1ccc(cc1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__