AG79859
57027-72-2 | 1-(2-Methylpropoxy)-4-nitrobenzene
Manufacturer: A2B Chem
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CatalogNumber
AG79859
ChemicalName
1-(2-Methylpropoxy)-4-nitrobenzene
CasNumber
57027-72-2
MolecularFormula
C10H13NO3
MolecularWeight
195.2151
MdlNumber
MFCD21985346
Smiles
CC(COc1ccc(cc1)[N+](=O)[O-])C
Complexity
180
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
3.5
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CatalogNumber: AG79859
ChemicalName: 1-(2-Methylpropoxy)-4-nitrobenzene
CasNumber: 57027-72-2
MolecularFormula: C10H13NO3
MolecularWeight: 195.2151
MdlNumber: MFCD21985346
Smiles: CC(COc1ccc(cc1)[N+](=O)[O-])C
Complexity: 180
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AG79859
ChemicalName:
1-(2-Methylpropoxy)-4-nitrobenzene
CasNumber:
57027-72-2
MolecularFormula:
C10H13NO3
MolecularWeight:
195.2151
MdlNumber:
MFCD21985346
Smiles:
CC(COc1ccc(cc1)[N+](=O)[O-])C
Complexity:
180
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C(Cc1ccc(cc1)F)N.Cl
Complexity: 191
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C(Cc1ccc(cc1)F)N.Cl
Complexity:
191
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG79861
ChemicalName: 3-Chloro-benzo[d]isothiazole 1,1-dioxide
CasNumber: 567-19-1
MolecularFormula: C7H4ClNO2S
MolecularWeight: 201.6302
MdlNumber: MFCD00835585
Smiles: ClC1=NS(=O)(=O)c2c1cccc2
Complexity: 317
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
AG79861
ChemicalName:
3-Chloro-benzo[d]isothiazole 1,1-dioxide
CasNumber:
567-19-1
MolecularFormula:
C7H4ClNO2S
MolecularWeight:
201.6302
MdlNumber:
MFCD00835585
Smiles:
ClC1=NS(=O)(=O)c2c1cccc2
Complexity:
317
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: AG79862
ChemicalName: 3-(Aminosulfonyl)benzenesulfonyl chloride
CasNumber: 62646-47-3
MolecularFormula: C6H6ClNO4S2
MolecularWeight: 255.6991
MdlNumber: MFCD09040502
Smiles: NS(=O)(=O)c1cccc(c1)S(=O)(=O)Cl
Complexity: 391
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AG79862
ChemicalName:
3-(Aminosulfonyl)benzenesulfonyl chloride
CasNumber:
62646-47-3
MolecularFormula:
C6H6ClNO4S2
MolecularWeight:
255.6991
MdlNumber:
MFCD09040502
Smiles:
NS(=O)(=O)c1cccc(c1)S(=O)(=O)Cl
Complexity:
391
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
0.9