AI53560
60854-81-1 | 2-Chloro-4-methylsulfonyl-1-nitrobenzene
Manufacturer: A2B Chem
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CatalogNumber
AI53560
ChemicalName
2-Chloro-4-methylsulfonyl-1-nitrobenzene
CasNumber
60854-81-1
MolecularFormula
C7H6ClNO4S
MolecularWeight
235.6448
MdlNumber
MFCD28962794
Smiles
[O-][N+](=O)c1ccc(cc1Cl)S(=O)(=O)C
Complexity
318
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AI53560
ChemicalName: 2-Chloro-4-methylsulfonyl-1-nitrobenzene
CasNumber: 60854-81-1
MolecularFormula: C7H6ClNO4S
MolecularWeight: 235.6448
MdlNumber: MFCD28962794
Smiles: [O-][N+](=O)c1ccc(cc1Cl)S(=O)(=O)C
Complexity: 318
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AI53560
ChemicalName:
2-Chloro-4-methylsulfonyl-1-nitrobenzene
CasNumber:
60854-81-1
MolecularFormula:
C7H6ClNO4S
MolecularWeight:
235.6448
MdlNumber:
MFCD28962794
Smiles:
[O-][N+](=O)c1ccc(cc1Cl)S(=O)(=O)C
Complexity:
318
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: __
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MolecularWeight: __
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Smiles: C[C@H]([C@@H](C(=O)O)N)OCc1ccccc1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
C[C@H]([C@@H](C(=O)O)N)OCc1ccccc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: CCOC(=O)CC(=O)c1ccc(cc1Cl)Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
CCOC(=O)CC(=O)c1ccc(cc1Cl)Cl
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O1CC2C(C1)CN(C2)Cc1ccccc1
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HydrogenBondAcceptorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O1CC2C(C1)CN(C2)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__