AA89396
1671-49-4 | 4-Methylsulfonyl-2-nitrotoluene
Manufacturer: A2B Chem
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CatalogNumber
AA89396
ChemicalName
4-Methylsulfonyl-2-nitrotoluene
CasNumber
1671-49-4
MolecularFormula
C8H9NO4S
MolecularWeight
215.22636000000003
MdlNumber
MFCD00047808
Smiles
[O-][N+](=O)c1cc(ccc1C)S(=O)(=O)C
Complexity
313
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AA89396
ChemicalName: 4-Methylsulfonyl-2-nitrotoluene
CasNumber: 1671-49-4
MolecularFormula: C8H9NO4S
MolecularWeight: 215.22636000000003
MdlNumber: MFCD00047808
Smiles: [O-][N+](=O)c1cc(ccc1C)S(=O)(=O)C
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AA89396
ChemicalName:
4-Methylsulfonyl-2-nitrotoluene
CasNumber:
1671-49-4
MolecularFormula:
C8H9NO4S
MolecularWeight:
215.22636000000003
MdlNumber:
MFCD00047808
Smiles:
[O-][N+](=O)c1cc(ccc1C)S(=O)(=O)C
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: AA89397
ChemicalName: 5-Methanesulfonyl-2-methylaniline
CasNumber: 1671-48-3
MolecularFormula: C8H11NO2S
MolecularWeight: 185.2434
MdlNumber: MFCD09258802
Smiles: Cc1ccc(cc1N)S(=O)(=O)C
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 0.1
CatalogNumber:
AA89397
ChemicalName:
5-Methanesulfonyl-2-methylaniline
CasNumber:
1671-48-3
MolecularFormula:
C8H11NO2S
MolecularWeight:
185.2434
MdlNumber:
MFCD09258802
Smiles:
Cc1ccc(cc1N)S(=O)(=O)C
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
0.1
CatalogNumber: AA89398
ChemicalName: 2-Chloro-1-methyl-(4-methylsulfonyl) benzene
CasNumber: 1671-18-7
MolecularFormula: C8H9ClO2S
MolecularWeight: 204.6739
MdlNumber: MFCD03840817
Smiles: Cc1ccc(cc1Cl)S(=O)(=O)C
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AA89398
ChemicalName:
2-Chloro-1-methyl-(4-methylsulfonyl) benzene
CasNumber:
1671-18-7
MolecularFormula:
C8H9ClO2S
MolecularWeight:
204.6739
MdlNumber:
MFCD03840817
Smiles:
Cc1ccc(cc1Cl)S(=O)(=O)C
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.9
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Smiles: COc1cnc(nc1)S(=O)(=O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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MolecularFormula:
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Smiles:
COc1cnc(nc1)S(=O)(=O)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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