AA59286
13894-21-8 | Ethynyl p-tolyl sulfone
Manufacturer: A2B Chem
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CatalogNumber
AA59286
ChemicalName
Ethynyl p-tolyl sulfone
CasNumber
13894-21-8
MolecularFormula
C9H8O2S
MolecularWeight
180.2236
MdlNumber
MFCD00191647
Smiles
C#CS(=O)(=O)c1ccc(cc1)C
Complexity
280
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AA59286
ChemicalName: Ethynyl p-tolyl sulfone
CasNumber: 13894-21-8
MolecularFormula: C9H8O2S
MolecularWeight: 180.2236
MdlNumber: MFCD00191647
Smiles: C#CS(=O)(=O)c1ccc(cc1)C
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AA59286
ChemicalName:
Ethynyl p-tolyl sulfone
CasNumber:
13894-21-8
MolecularFormula:
C9H8O2S
MolecularWeight:
180.2236
MdlNumber:
MFCD00191647
Smiles:
C#CS(=O)(=O)c1ccc(cc1)C
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.6
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MolecularFormula: __
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Smiles: CC(N[C@@H]1C=CC(C1)(c1ccccc1)c1ccccc1)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC(N[C@@H]1C=CC(C1)(c1ccccc1)c1ccccc1)(C)C
Complexity:
__
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__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)[C@H](OS(=O)(=O)O)C)C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)[C@H](OS(=O)(=O)O)C)C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CN(c1ncc(cc1Cl)C(F)(F)F)N
Complexity: __
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HydrogenBondAcceptorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CN(c1ncc(cc1Cl)C(F)(F)F)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__