AC74417
721428-34-8 | 5-Chloromethyl-3-(4-fluoro-phenyl)-[1,2,4]oxadiazole
Manufacturer: A2B Chem
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CatalogNumber
AC74417
ChemicalName
5-Chloromethyl-3-(4-fluoro-phenyl)-[1,2,4]oxadiazole
CasNumber
721428-34-8
MolecularFormula
C9H6ClFN2O
MolecularWeight
212.6081
MdlNumber
MFCD06366746
Smiles
ClCc1onc(n1)c1ccc(cc1)F
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AC74417
ChemicalName: 5-Chloromethyl-3-(4-fluoro-phenyl)-[1,2,4]oxadiazole
CasNumber: 721428-34-8
MolecularFormula: C9H6ClFN2O
MolecularWeight: 212.6081
MdlNumber: MFCD06366746
Smiles: ClCc1onc(n1)c1ccc(cc1)F
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AC74417
ChemicalName:
5-Chloromethyl-3-(4-fluoro-phenyl)-[1,2,4]oxadiazole
CasNumber:
721428-34-8
MolecularFormula:
C9H6ClFN2O
MolecularWeight:
212.6081
MdlNumber:
MFCD06366746
Smiles:
ClCc1onc(n1)c1ccc(cc1)F
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.5
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Smiles: O=Cc1cccc(c1)NC(=O)c1ccc(cc1)Cl
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Smiles:
O=Cc1cccc(c1)NC(=O)c1ccc(cc1)Cl
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Smiles: CNc1nc(Nc2cccc(c2)Nc2nc(Cl)nc(c2Cl)Cl)nc(n1)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccccc1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Complexity: __
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Smiles:
CNc1nc(Nc2cccc(c2)Nc2nc(Cl)nc(c2Cl)Cl)nc(n1)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccccc1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Complexity:
__
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCc1ccc(cc1)C[C@H](C(=O)O)N
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MolecularFormula:
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Smiles:
CCc1ccc(cc1)C[C@H](C(=O)O)N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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