AI47627
326-91-0 | 2-Thenoyltrifluoroacetone
Manufacturer: A2B Chem
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CatalogNumber
AI47627
ChemicalName
2-Thenoyltrifluoroacetone
CasNumber
326-91-0
MolecularFormula
C8H5F3O2S
MolecularWeight
222.1843
MdlNumber
MFCD00005445
Smiles
C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F
NscNumber
66544
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AI47627
ChemicalName: 2-Thenoyltrifluoroacetone
CasNumber: 326-91-0
MolecularFormula: C8H5F3O2S
MolecularWeight: 222.1843
MdlNumber: MFCD00005445
Smiles: C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F
NscNumber: 66544
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AI47627
ChemicalName:
2-Thenoyltrifluoroacetone
CasNumber:
326-91-0
MolecularFormula:
C8H5F3O2S
MolecularWeight:
222.1843
MdlNumber:
MFCD00005445
Smiles:
C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F
NscNumber:
66544
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
2.2
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Smiles: O=C1COc2c1cccc2Cl
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Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C1COc2c1cccc2Cl
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Smiles: NC(=N)NC(=N)N1C(C)Cc2c1cccc2
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Smiles:
NC(=N)NC(=N)N1C(C)Cc2c1cccc2
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HeavyAtomCount:
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Smiles: N=C(Nc1nc(C)cc(n1)C)Nc1cc(Cl)cc(c1)Cl
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Complexity: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
N=C(Nc1nc(C)cc(n1)C)Nc1cc(Cl)cc(c1)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__