AB38898
2976-32-1 | 1-(Methylsulfonyl)-3-nitrobenzene
Manufacturer: A2B Chem
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CatalogNumber
AB38898
ChemicalName
1-(Methylsulfonyl)-3-nitrobenzene
CasNumber
2976-32-1
MolecularFormula
C7H7NO4S
MolecularWeight
201.1998
MdlNumber
MFCD00091590
Smiles
[O-][N+](=O)c1cccc(c1)S(=O)(=O)C
Complexity
287
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
0.5
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CatalogNumber: AB38898
ChemicalName: 1-(Methylsulfonyl)-3-nitrobenzene
CasNumber: 2976-32-1
MolecularFormula: C7H7NO4S
MolecularWeight: 201.1998
MdlNumber: MFCD00091590
Smiles: [O-][N+](=O)c1cccc(c1)S(=O)(=O)C
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AB38898
ChemicalName:
1-(Methylsulfonyl)-3-nitrobenzene
CasNumber:
2976-32-1
MolecularFormula:
C7H7NO4S
MolecularWeight:
201.1998
MdlNumber:
MFCD00091590
Smiles:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)C
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
0.5
CatalogNumber: AB38899
ChemicalName: 1-(Methylsulfonyl)-4-nitrobenzene
CasNumber: 2976-30-9
MolecularFormula: C7H7NO4S
MolecularWeight: 201.1998
MdlNumber: MFCD00047803
Smiles: [O-][N+](=O)c1ccc(cc1)S(=O)(=O)C
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AB38899
ChemicalName:
1-(Methylsulfonyl)-4-nitrobenzene
CasNumber:
2976-30-9
MolecularFormula:
C7H7NO4S
MolecularWeight:
201.1998
MdlNumber:
MFCD00047803
Smiles:
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)C
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: AB38900
ChemicalName: 4-Hydroxymethylphenylboronic acid, pinacol ester
CasNumber: 302348-51-2
MolecularFormula: C13H19BO3
MolecularWeight: 234.0992
MdlNumber: MFCD09837617
Smiles: OCc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB38900
ChemicalName:
4-Hydroxymethylphenylboronic acid, pinacol ester
CasNumber:
302348-51-2
MolecularFormula:
C13H19BO3
MolecularWeight:
234.0992
MdlNumber:
MFCD09837617
Smiles:
OCc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CNc1ccc(cc1)B(O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CNc1ccc(cc1)B(O)O
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__