AI45857
252561-91-4 | 1-(Methylsulphonyl)-4-nitro-2-(trifluoromethyl)benzene
Manufacturer: A2B Chem
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CatalogNumber
AI45857
ChemicalName
1-(Methylsulphonyl)-4-nitro-2-(trifluoromethyl)benzene
CasNumber
252561-91-4
MolecularFormula
C8H6F3NO4S
MolecularWeight
269.1977
MdlNumber
MFCD13176597
Smiles
[O-][N+](=O)c1ccc(c(c1)C(F)(F)F)S(=O)(=O)C
Complexity
395
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
7
RotatableBondCount
1
Xlogp3
1.9
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CatalogNumber: AI45857
ChemicalName: 1-(Methylsulphonyl)-4-nitro-2-(trifluoromethyl)benzene
CasNumber: 252561-91-4
MolecularFormula: C8H6F3NO4S
MolecularWeight: 269.1977
MdlNumber: MFCD13176597
Smiles: [O-][N+](=O)c1ccc(c(c1)C(F)(F)F)S(=O)(=O)C
Complexity: 395
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AI45857
ChemicalName:
1-(Methylsulphonyl)-4-nitro-2-(trifluoromethyl)benzene
CasNumber:
252561-91-4
MolecularFormula:
C8H6F3NO4S
MolecularWeight:
269.1977
MdlNumber:
MFCD13176597
Smiles:
[O-][N+](=O)c1ccc(c(c1)C(F)(F)F)S(=O)(=O)C
Complexity:
395
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
RotatableBondCount:
1
Xlogp3:
1.9
CatalogNumber: AI45858
ChemicalName: 4-(Methylsulphonyl)-3-(trifluoromethyl)aniline
CasNumber: 252561-92-5
MolecularFormula: C8H8F3NO2S
MolecularWeight: 239.2148
MdlNumber: MFCD12807191
Smiles: Nc1ccc(c(c1)C(F)(F)F)S(=O)(=O)C
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AI45858
ChemicalName:
4-(Methylsulphonyl)-3-(trifluoromethyl)aniline
CasNumber:
252561-92-5
MolecularFormula:
C8H8F3NO2S
MolecularWeight:
239.2148
MdlNumber:
MFCD12807191
Smiles:
Nc1ccc(c(c1)C(F)(F)F)S(=O)(=O)C
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
RotatableBondCount:
1
Xlogp3:
1.4
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
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Smiles: CC(c1nc(Cl)nc(=N)[nH]1)(F)C
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Smiles:
CC(c1nc(Cl)nc(=N)[nH]1)(F)C
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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