AD23456
25025-07-4 | 4-(Methylsulfonyl) phenylacetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD23456
ChemicalName
4-(Methylsulfonyl) phenylacetonitrile
CasNumber
25025-07-4
MolecularFormula
C9H9NO2S
MolecularWeight
195.23826000000005
MdlNumber
MFCD00079775
Smiles
N#CCc1ccc(cc1)S(=O)(=O)C
Complexity
298
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AD23456
ChemicalName: 4-(Methylsulfonyl) phenylacetonitrile
CasNumber: 25025-07-4
MolecularFormula: C9H9NO2S
MolecularWeight: 195.23826000000005
MdlNumber: MFCD00079775
Smiles: N#CCc1ccc(cc1)S(=O)(=O)C
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AD23456
ChemicalName:
4-(Methylsulfonyl) phenylacetonitrile
CasNumber:
25025-07-4
MolecularFormula:
C9H9NO2S
MolecularWeight:
195.23826000000005
MdlNumber:
MFCD00079775
Smiles:
N#CCc1ccc(cc1)S(=O)(=O)C
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.1
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Smiles: OCC[C@H]1CCCCN1C(=O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OCC[C@H]1CCCCN1C(=O)OC(C)(C)C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: OS(=O)(=O)c1[nH]cnc2-c1ncn2
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Smiles:
OS(=O)(=O)c1[nH]cnc2-c1ncn2
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
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Smiles: OCCCOCCCO
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Smiles:
OCCCOCCCO
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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