AB63419
22821-75-6 | 3-(Methylsulfonyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB63419
ChemicalName
3-(Methylsulfonyl)benzonitrile
CasNumber
22821-75-6
MolecularFormula
C8H7NO2S
MolecularWeight
181.21168000000003
MdlNumber
MFCD04037969
Smiles
N#Cc1cccc(c1)S(=O)(=O)C
Complexity
293
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
1
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CatalogNumber: AB63419
ChemicalName: 3-(Methylsulfonyl)benzonitrile
CasNumber: 22821-75-6
MolecularFormula: C8H7NO2S
MolecularWeight: 181.21168000000003
MdlNumber: MFCD04037969
Smiles: N#Cc1cccc(c1)S(=O)(=O)C
Complexity: 293
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AB63419
ChemicalName:
3-(Methylsulfonyl)benzonitrile
CasNumber:
22821-75-6
MolecularFormula:
C8H7NO2S
MolecularWeight:
181.21168000000003
MdlNumber:
MFCD04037969
Smiles:
N#Cc1cccc(c1)S(=O)(=O)C
Complexity:
293
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1cccc(c1)S(=O)(=O)C)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1cccc(c1)S(=O)(=O)C)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB63421
ChemicalName: 3-(Methylsulfonyl)benzyl alcohol
CasNumber: 220798-39-0
MolecularFormula: C8H10O3S
MolecularWeight: 186.2282
MdlNumber: MFCD15527275
Smiles: OCc1cccc(c1)S(=O)(=O)C
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: -0.3
CatalogNumber:
AB63421
ChemicalName:
3-(Methylsulfonyl)benzyl alcohol
CasNumber:
220798-39-0
MolecularFormula:
C8H10O3S
MolecularWeight:
186.2282
MdlNumber:
MFCD15527275
Smiles:
OCc1cccc(c1)S(=O)(=O)C
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
-0.3
CatalogNumber: AB63422
ChemicalName: 3-(Methylsulfonyl)benzylamine
CasNumber: 771573-22-9
MolecularFormula: C8H11NO2S
MolecularWeight: 185.2434
MdlNumber: MFCD12024691
Smiles: NCc1cccc(c1)S(=O)(=O)C
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: -0.5
CatalogNumber:
AB63422
ChemicalName:
3-(Methylsulfonyl)benzylamine
CasNumber:
771573-22-9
MolecularFormula:
C8H11NO2S
MolecularWeight:
185.2434
MdlNumber:
MFCD12024691
Smiles:
NCc1cccc(c1)S(=O)(=O)C
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
-0.5