AB54182
220227-80-5 | 2,4,6-Trifluorophenylacetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB54182
ChemicalName
2,4,6-Trifluorophenylacetonitrile
CasNumber
220227-80-5
MolecularFormula
C8H4F3N
MolecularWeight
171.1193
MdlNumber
MFCD00061221
Smiles
N#CCc1c(F)cc(cc1F)F
Complexity
186
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
1.9
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CatalogNumber: AB54182
ChemicalName: 2,4,6-Trifluorophenylacetonitrile
CasNumber: 220227-80-5
MolecularFormula: C8H4F3N
MolecularWeight: 171.1193
MdlNumber: MFCD00061221
Smiles: N#CCc1c(F)cc(cc1F)F
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AB54182
ChemicalName:
2,4,6-Trifluorophenylacetonitrile
CasNumber:
220227-80-5
MolecularFormula:
C8H4F3N
MolecularWeight:
171.1193
MdlNumber:
MFCD00061221
Smiles:
N#CCc1c(F)cc(cc1F)F
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [N-]=[N+]=NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Complexity: 470
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 5.8
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
[N-]=[N+]=NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Complexity:
470
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
5.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: n1ccc(cc1)c1ccccn1
Complexity: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
n1ccc(cc1)c1ccccn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: Nc1nc(N)nc(n1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1nc(N)nc(n1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__