AB78296
7605-28-9 | Benzenesulfonylacetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB78296
ChemicalName
Benzenesulfonylacetonitrile
CasNumber
7605-28-9
MolecularFormula
C8H7NO2S
MolecularWeight
181.2117
MdlNumber
MFCD00007550
Smiles
N#CCS(=O)(=O)c1ccccc1
NscNumber
51007
Complexity
274
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
0.9
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CatalogNumber: AB78296
ChemicalName: Benzenesulfonylacetonitrile
CasNumber: 7605-28-9
MolecularFormula: C8H7NO2S
MolecularWeight: 181.2117
MdlNumber: MFCD00007550
Smiles: N#CCS(=O)(=O)c1ccccc1
NscNumber: 51007
Complexity: 274
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AB78296
ChemicalName:
Benzenesulfonylacetonitrile
CasNumber:
7605-28-9
MolecularFormula:
C8H7NO2S
MolecularWeight:
181.2117
MdlNumber:
MFCD00007550
Smiles:
N#CCS(=O)(=O)c1ccccc1
NscNumber:
51007
Complexity:
274
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
0.9
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Smiles: FS(c1ccccc1)(F)(F)(F)F
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Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
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Smiles:
FS(c1ccccc1)(F)(F)(F)F
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: N#CCSc1ccccc1
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N#CCSc1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)CC1NC(=S)N(C1=O)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)CC1NC(=S)N(C1=O)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__