AI57526
85929-41-5 | 5-(3-Chlorophenyl)-3H-1,3,4-oxadiazol-2-one
Manufacturer: A2B Chem
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CatalogNumber
AI57526
ChemicalName
5-(3-Chlorophenyl)-3H-1,3,4-oxadiazol-2-one
CasNumber
85929-41-5
MolecularFormula
C8H5ClN2O2
MolecularWeight
196.5905
MdlNumber
MFCD11046709
Smiles
Clc1cccc(c1)c1n[nH]c(=O)o1
Complexity
255
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AI57526
ChemicalName: 5-(3-Chlorophenyl)-3H-1,3,4-oxadiazol-2-one
CasNumber: 85929-41-5
MolecularFormula: C8H5ClN2O2
MolecularWeight: 196.5905
MdlNumber: MFCD11046709
Smiles: Clc1cccc(c1)c1n[nH]c(=O)o1
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AI57526
ChemicalName:
5-(3-Chlorophenyl)-3H-1,3,4-oxadiazol-2-one
CasNumber:
85929-41-5
MolecularFormula:
C8H5ClN2O2
MolecularWeight:
196.5905
MdlNumber:
MFCD11046709
Smiles:
Clc1cccc(c1)c1n[nH]c(=O)o1
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
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ChemicalName: __
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MolecularFormula: __
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Smiles: COC(=O)c1cc(Br)c(cc1C(=O)OC)Br
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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ChemicalName:
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Smiles:
COC(=O)c1cc(Br)c(cc1C(=O)OC)Br
Complexity:
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Smiles: [O-][N+](=O)c1cnc(nc1NCC(=O)OC)Cl
Complexity: __
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Smiles:
[O-][N+](=O)c1cnc(nc1NCC(=O)OC)Cl
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COC(=O)CCS(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
COC(=O)CCS(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__