AI56869
83725-80-8 | 5-(3-Nitrophenyl)-3H-1,3,4-oxadiazol-2-one
Manufacturer: A2B Chem
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CatalogNumber
AI56869
ChemicalName
5-(3-Nitrophenyl)-3H-1,3,4-oxadiazol-2-one
CasNumber
83725-80-8
MolecularFormula
C8H5N3O4
MolecularWeight
207.143
MdlNumber
MFCD19288871
Smiles
[O-][N+](=O)c1cccc(c1)c1n[nH]c(=O)o1
Complexity
322
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.3
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CatalogNumber: AI56869
ChemicalName: 5-(3-Nitrophenyl)-3H-1,3,4-oxadiazol-2-one
CasNumber: 83725-80-8
MolecularFormula: C8H5N3O4
MolecularWeight: 207.143
MdlNumber: MFCD19288871
Smiles: [O-][N+](=O)c1cccc(c1)c1n[nH]c(=O)o1
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AI56869
ChemicalName:
5-(3-Nitrophenyl)-3H-1,3,4-oxadiazol-2-one
CasNumber:
83725-80-8
MolecularFormula:
C8H5N3O4
MolecularWeight:
207.143
MdlNumber:
MFCD19288871
Smiles:
[O-][N+](=O)c1cccc(c1)c1n[nH]c(=O)o1
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCS(=O)(=N)CC[C@@H](C(=O)O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCS(=O)(=N)CC[C@@H](C(=O)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(N)C)NC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(N)C)NC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(F)c2c(c1)C(=O)CCC2
Complexity: 229
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(F)c2c(c1)C(=O)CCC2
Complexity:
229
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1