AI40317
1820617-99-9 | 2-Isopropoxy-1-methanesulfonyl-4-nitrobenzene
Manufacturer: A2B Chem
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CatalogNumber
AI40317
ChemicalName
2-Isopropoxy-1-methanesulfonyl-4-nitrobenzene
CasNumber
1820617-99-9
MolecularFormula
C10H13NO5S
MolecularWeight
259.2789
MdlNumber
MFCD26940385
Smiles
CC(Oc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-])C
Complexity
367
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AI40317
ChemicalName: 2-Isopropoxy-1-methanesulfonyl-4-nitrobenzene
CasNumber: 1820617-99-9
MolecularFormula: C10H13NO5S
MolecularWeight: 259.2789
MdlNumber: MFCD26940385
Smiles: CC(Oc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-])C
Complexity: 367
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AI40317
ChemicalName:
2-Isopropoxy-1-methanesulfonyl-4-nitrobenzene
CasNumber:
1820617-99-9
MolecularFormula:
C10H13NO5S
MolecularWeight:
259.2789
MdlNumber:
MFCD26940385
Smiles:
CC(Oc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-])C
Complexity:
367
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: __
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MolecularFormula: __
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Smiles: COC(=O)c1ccc(cc1)c1cc(C)ccc1OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularWeight:
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MdlNumber:
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Smiles:
COC(=O)c1ccc(cc1)c1cc(C)ccc1OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(cc(c1)C(=O)OC)c1ccc(cc1)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(cc(c1)C(=O)OC)c1ccc(cc1)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(c1)C)c1cccc(c1C)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c(c1)C)c1cccc(c1C)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__