AB31091
26455-31-2 | 1-Isopropoxy-4-nitrobenzene
Manufacturer: A2B Chem
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CatalogNumber
AB31091
ChemicalName
1-Isopropoxy-4-nitrobenzene
CasNumber
26455-31-2
MolecularFormula
C9H11NO3
MolecularWeight
181.1885
MdlNumber
MFCD01327671
Smiles
CC(Oc1ccc(cc1)[N+](=O)[O-])C
Complexity
168
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AB31091
ChemicalName: 1-Isopropoxy-4-nitrobenzene
CasNumber: 26455-31-2
MolecularFormula: C9H11NO3
MolecularWeight: 181.1885
MdlNumber: MFCD01327671
Smiles: CC(Oc1ccc(cc1)[N+](=O)[O-])C
Complexity: 168
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AB31091
ChemicalName:
1-Isopropoxy-4-nitrobenzene
CasNumber:
26455-31-2
MolecularFormula:
C9H11NO3
MolecularWeight:
181.1885
MdlNumber:
MFCD01327671
Smiles:
CC(Oc1ccc(cc1)[N+](=O)[O-])C
Complexity:
168
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: N#Cc1cc(oc1N)c1ccc(cc1)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N#Cc1cc(oc1N)c1ccc(cc1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1cc(oc1N)c1ccc(cc1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N#Cc1cc(oc1N)c1ccc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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Smiles: O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)[O-])C)C)O)C.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)[O-])C)C)O)C.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__