AI45859
252561-99-2 | 4-Methanesulfonyl-2-methyl-1-nitrobenzene
Manufacturer: A2B Chem
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CatalogNumber
AI45859
ChemicalName
4-Methanesulfonyl-2-methyl-1-nitrobenzene
CasNumber
252561-99-2
MolecularFormula
C8H9NO4S
MolecularWeight
215.2264
MdlNumber
MFCD12407099
Smiles
[O-][N+](=O)c1ccc(cc1C)S(=O)(=O)C
Complexity
313
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AI45859
ChemicalName: 4-Methanesulfonyl-2-methyl-1-nitrobenzene
CasNumber: 252561-99-2
MolecularFormula: C8H9NO4S
MolecularWeight: 215.2264
MdlNumber: MFCD12407099
Smiles: [O-][N+](=O)c1ccc(cc1C)S(=O)(=O)C
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AI45859
ChemicalName:
4-Methanesulfonyl-2-methyl-1-nitrobenzene
CasNumber:
252561-99-2
MolecularFormula:
C8H9NO4S
MolecularWeight:
215.2264
MdlNumber:
MFCD12407099
Smiles:
[O-][N+](=O)c1ccc(cc1C)S(=O)(=O)C
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CC(c1nc(Cl)nc(=N)[nH]1)(F)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC(c1nc(Cl)nc(=N)[nH]1)(F)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: NC1CCN(CC1)c1ccc(cn1)[N+](=O)[O-]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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__
ChemicalName:
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MolecularWeight:
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Smiles:
NC1CCN(CC1)c1ccc(cn1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: CCOC(=O)C1=NC(=CC=C1)N2CCC(CC2)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C1=NC(=CC=C1)N2CCC(CC2)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__