AC14113
877681-12-4 | 5-(Trifluoromethoxy)benzoimidazol-2(3H)-one
Manufacturer: A2B Chem
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CatalogNumber
AC14113
ChemicalName
5-(Trifluoromethoxy)benzoimidazol-2(3H)-one
CasNumber
877681-12-4
MolecularFormula
C8H5F3N2O2
MolecularWeight
218.1327
MdlNumber
MFCD05663530
Smiles
O=c1[nH]c2c([nH]1)cc(cc2)OC(F)(F)F
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AC14113
ChemicalName: 5-(Trifluoromethoxy)benzoimidazol-2(3H)-one
CasNumber: 877681-12-4
MolecularFormula: C8H5F3N2O2
MolecularWeight: 218.1327
MdlNumber: MFCD05663530
Smiles: O=c1[nH]c2c([nH]1)cc(cc2)OC(F)(F)F
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AC14113
ChemicalName:
5-(Trifluoromethoxy)benzoimidazol-2(3H)-one
CasNumber:
877681-12-4
MolecularFormula:
C8H5F3N2O2
MolecularWeight:
218.1327
MdlNumber:
MFCD05663530
Smiles:
O=c1[nH]c2c([nH]1)cc(cc2)OC(F)(F)F
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: COC1(C)CNC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COC1(C)CNC1
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: ClCCN(C(=O)CNC1CCC(CC1)C(=O)O)N=O
Complexity: __
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HeavyAtomCount: __
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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:
ClCCN(C(=O)CNC1CCC(CC1)C(=O)O)N=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: NCCCC(=O)N(C)C
Complexity: __
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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:
NCCCC(=O)N(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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