AI30455
1334627-21-2 | 5-[3-(Trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
Manufacturer: A2B Chem
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CatalogNumber
AI30455
ChemicalName
5-[3-(Trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CasNumber
1334627-21-2
MolecularFormula
C9H5F3N2O2
MolecularWeight
230.14340959999993
MdlNumber
MFCD19673358
Smiles
O=c1[nH]nc(o1)c1cccc(c1)C(F)(F)F
Complexity
327
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.3
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CatalogNumber: AI30455
ChemicalName: 5-[3-(Trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CasNumber: 1334627-21-2
MolecularFormula: C9H5F3N2O2
MolecularWeight: 230.14340959999993
MdlNumber: MFCD19673358
Smiles: O=c1[nH]nc(o1)c1cccc(c1)C(F)(F)F
Complexity: 327
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AI30455
ChemicalName:
5-[3-(Trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CasNumber:
1334627-21-2
MolecularFormula:
C9H5F3N2O2
MolecularWeight:
230.14340959999993
MdlNumber:
MFCD19673358
Smiles:
O=c1[nH]nc(o1)c1cccc(c1)C(F)(F)F
Complexity:
327
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.3
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Smiles: COC(=O)C(=O)Cc1cccc(c1[N+](=O)[O-])C
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Smiles:
COC(=O)C(=O)Cc1cccc(c1[N+](=O)[O-])C
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Smiles: Oc1ccccc1S(=O)(=O)N1CCOCC1
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Oc1ccccc1S(=O)(=O)N1CCOCC1
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Smiles: OC[C@H]1COC(N1C(=O)OCc1ccccc1)(C)C
Complexity: __
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CasNumber:
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MolecularFormula:
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Smiles:
OC[C@H]1COC(N1C(=O)OCc1ccccc1)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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