AH58785
75259-30-2 | 1-Methanesulfonyl-2-methoxy-4-nitrobenzene
Manufacturer: A2B Chem
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CatalogNumber
AH58785
ChemicalName
1-Methanesulfonyl-2-methoxy-4-nitrobenzene
CasNumber
75259-30-2
MolecularFormula
C8H9NO5S
MolecularWeight
231.2258
MdlNumber
MFCD13188508
Smiles
COc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-]
Complexity
328
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
1
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CatalogNumber: AH58785
ChemicalName: 1-Methanesulfonyl-2-methoxy-4-nitrobenzene
CasNumber: 75259-30-2
MolecularFormula: C8H9NO5S
MolecularWeight: 231.2258
MdlNumber: MFCD13188508
Smiles: COc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-]
Complexity: 328
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AH58785
ChemicalName:
1-Methanesulfonyl-2-methoxy-4-nitrobenzene
CasNumber:
75259-30-2
MolecularFormula:
C8H9NO5S
MolecularWeight:
231.2258
MdlNumber:
MFCD13188508
Smiles:
COc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-]
Complexity:
328
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CC(C(=O)O)CNC(=O)OC(C)(C)C)C
Complexity: 268
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CC(C(=O)O)CNC(=O)OC(C)(C)C)C
Complexity:
268
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: AH58787
ChemicalName: 3-(Isopropylamino)-4-nitrobenzoic acid
CasNumber: 761388-52-7
MolecularFormula: C10H12N2O4
MolecularWeight: 224.2133
MdlNumber: MFCD22421483
Smiles: CC(Nc1cc(ccc1[N+](=O)[O-])C(=O)O)C
Complexity: 275
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AH58787
ChemicalName:
3-(Isopropylamino)-4-nitrobenzoic acid
CasNumber:
761388-52-7
MolecularFormula:
C10H12N2O4
MolecularWeight:
224.2133
MdlNumber:
MFCD22421483
Smiles:
CC(Nc1cc(ccc1[N+](=O)[O-])C(=O)O)C
Complexity:
275
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__