AC13537
866683-57-0 | 1-Ethynyl-3-(trifluoromethoxy)-benzene
Manufacturer: A2B Chem
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CatalogNumber
AC13537
ChemicalName
1-Ethynyl-3-(trifluoromethoxy)-benzene
CasNumber
866683-57-0
MolecularFormula
C9H5F3O
MolecularWeight
186.1306
MdlNumber
MFCD08458148
Smiles
C#Cc1cccc(c1)OC(F)(F)F
Complexity
213
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AC13537
ChemicalName: 1-Ethynyl-3-(trifluoromethoxy)-benzene
CasNumber: 866683-57-0
MolecularFormula: C9H5F3O
MolecularWeight: 186.1306
MdlNumber: MFCD08458148
Smiles: C#Cc1cccc(c1)OC(F)(F)F
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AC13537
ChemicalName:
1-Ethynyl-3-(trifluoromethoxy)-benzene
CasNumber:
866683-57-0
MolecularFormula:
C9H5F3O
MolecularWeight:
186.1306
MdlNumber:
MFCD08458148
Smiles:
C#Cc1cccc(c1)OC(F)(F)F
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
3.3
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Smiles: NNc1nc2ccccc2c(=O)n1CC
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
NNc1nc2ccccc2c(=O)n1CC
Complexity:
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCCn1c2nnc(n2c2c(c1=O)cccc2)CN1CCCCC1
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Smiles:
CCCn1c2nnc(n2c2c(c1=O)cccc2)CN1CCCCC1
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Nc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O
Complexity: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Nc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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