AA89090
16672-19-8 | 3-(4-Bromophenyl)-1,2,4-oxadiazol-5(4H)-one
Manufacturer: A2B Chem
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CatalogNumber
AA89090
ChemicalName
3-(4-Bromophenyl)-1,2,4-oxadiazol-5(4H)-one
CasNumber
16672-19-8
MolecularFormula
C8H5BrN2O2
MolecularWeight
241.0415
MdlNumber
MFCD11504920
Smiles
Brc1ccc(cc1)c1[nH]oc(=O)n1
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AA89090
ChemicalName: 3-(4-Bromophenyl)-1,2,4-oxadiazol-5(4H)-one
CasNumber: 16672-19-8
MolecularFormula: C8H5BrN2O2
MolecularWeight: 241.0415
MdlNumber: MFCD11504920
Smiles: Brc1ccc(cc1)c1[nH]oc(=O)n1
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AA89090
ChemicalName:
3-(4-Bromophenyl)-1,2,4-oxadiazol-5(4H)-one
CasNumber:
16672-19-8
MolecularFormula:
C8H5BrN2O2
MolecularWeight:
241.0415
MdlNumber:
MFCD11504920
Smiles:
Brc1ccc(cc1)c1[nH]oc(=O)n1
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
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Smiles: ClCC(OS(=O)(=O)c1ccc(cc1)C)CCl
Complexity: __
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RotatableBondCount: __
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Smiles:
ClCC(OS(=O)(=O)c1ccc(cc1)C)CCl
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Smiles: ClCCOS(=O)(=O)c1ccccc1
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Smiles:
ClCCOS(=O)(=O)c1ccccc1
Complexity:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: C=CC(=O)NCOCC(C)C
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
C=CC(=O)NCOCC(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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