AF70339
41125-77-3 | 5-(4-Nitrophenyl)-3H-1,3,4-oxadiazol-2-one
Manufacturer: A2B Chem
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CatalogNumber
AF70339
ChemicalName
5-(4-Nitrophenyl)-3H-1,3,4-oxadiazol-2-one
CasNumber
41125-77-3
MolecularFormula
C8H5N3O4
MolecularWeight
207.143
MdlNumber
MFCD11100224
Smiles
Oc1nnc(o1)c1ccc(cc1)[N+](=O)[O-]
Complexity
314
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.3
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CatalogNumber: AF70339
ChemicalName: 5-(4-Nitrophenyl)-3H-1,3,4-oxadiazol-2-one
CasNumber: 41125-77-3
MolecularFormula: C8H5N3O4
MolecularWeight: 207.143
MdlNumber: MFCD11100224
Smiles: Oc1nnc(o1)c1ccc(cc1)[N+](=O)[O-]
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AF70339
ChemicalName:
5-(4-Nitrophenyl)-3H-1,3,4-oxadiazol-2-one
CasNumber:
41125-77-3
MolecularFormula:
C8H5N3O4
MolecularWeight:
207.143
MdlNumber:
MFCD11100224
Smiles:
Oc1nnc(o1)c1ccc(cc1)[N+](=O)[O-]
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.3
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Smiles: COc1cc(OC)nc(n1)c1ccc(cc1)C(=O)O
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COc1cc(OC)nc(n1)c1ccc(cc1)C(=O)O
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: [Cl-][Ni+2]1234([CH-]5C3=C2C1=C45)P(c1ccccc1)(c1ccccc1)c1ccccc1
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CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[Cl-][Ni+2]1234([CH-]5C3=C2C1=C45)P(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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