AI60576
90531-97-8 | 2-Bromo-1-methanesulfonyl-4-methylbenzene
Manufacturer: A2B Chem
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CatalogNumber
AI60576
ChemicalName
2-Bromo-1-methanesulfonyl-4-methylbenzene
CasNumber
90531-97-8
MolecularFormula
C8H9BrO2S
MolecularWeight
249.1249
MdlNumber
MFCD15527262
Smiles
Cc1ccc(c(c1)Br)S(=O)(=O)C
Complexity
242
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
2.2
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CatalogNumber: AI60576
ChemicalName: 2-Bromo-1-methanesulfonyl-4-methylbenzene
CasNumber: 90531-97-8
MolecularFormula: C8H9BrO2S
MolecularWeight: 249.1249
MdlNumber: MFCD15527262
Smiles: Cc1ccc(c(c1)Br)S(=O)(=O)C
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AI60576
ChemicalName:
2-Bromo-1-methanesulfonyl-4-methylbenzene
CasNumber:
90531-97-8
MolecularFormula:
C8H9BrO2S
MolecularWeight:
249.1249
MdlNumber:
MFCD15527262
Smiles:
Cc1ccc(c(c1)Br)S(=O)(=O)C
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: AI60577
ChemicalName: 4-Bromo-2-methanesulfonyl-1-methoxybenzene
CasNumber: 90531-99-0
MolecularFormula: C8H9BrO3S
MolecularWeight: 265.1243
MdlNumber: MFCD16250388
Smiles: COc1ccc(cc1S(=O)(=O)C)Br
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AI60577
ChemicalName:
4-Bromo-2-methanesulfonyl-1-methoxybenzene
CasNumber:
90531-99-0
MolecularFormula:
C8H9BrO3S
MolecularWeight:
265.1243
MdlNumber:
MFCD16250388
Smiles:
COc1ccc(cc1S(=O)(=O)C)Br
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.8
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Smiles: NCCCCCNCCCN.Cl.Cl.Cl
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Smiles:
NCCCCCNCCCN.Cl.Cl.Cl
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Smiles: CCc1cccc(c1O)OC
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MolecularFormula:
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Smiles:
CCc1cccc(c1O)OC
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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