AI44877
212189-48-5 | Methyl 3-(4-nitrophenoxy)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AI44877
ChemicalName
Methyl 3-(4-nitrophenoxy)benzoate
CasNumber
212189-48-5
MolecularFormula
C14H11NO5
MolecularWeight
273.2408
MdlNumber
MFCD00416158
Smiles
COC(=O)c1cccc(c1)Oc1ccc(cc1)[N+](=O)[O-]
Complexity
346
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
3.4
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CatalogNumber: AI44877
ChemicalName: Methyl 3-(4-nitrophenoxy)benzoate
CasNumber: 212189-48-5
MolecularFormula: C14H11NO5
MolecularWeight: 273.2408
MdlNumber: MFCD00416158
Smiles: COC(=O)c1cccc(c1)Oc1ccc(cc1)[N+](=O)[O-]
Complexity: 346
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 3.4
CatalogNumber:
AI44877
ChemicalName:
Methyl 3-(4-nitrophenoxy)benzoate
CasNumber:
212189-48-5
MolecularFormula:
C14H11NO5
MolecularWeight:
273.2408
MdlNumber:
MFCD00416158
Smiles:
COC(=O)c1cccc(c1)Oc1ccc(cc1)[N+](=O)[O-]
Complexity:
346
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
3.4
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Smiles: O=C(N1CCC[C@H]1CS(=O)(=O)Cl)OCc1ccccc1
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O=C(N1CCC[C@H]1CS(=O)(=O)Cl)OCc1ccccc1
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Smiles: NNc1ccc(cc1)Cn1ncnc1.[2ClH]
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NNc1ccc(cc1)Cn1ncnc1.[2ClH]
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Smiles: COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[N+](=O)[O-]
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MdlNumber:
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Smiles:
COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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