AD91046
87014-29-7 | 1-Nitro-3-(2,2,2-trifluoroethoxy)benzene
Manufacturer: A2B Chem
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CatalogNumber
AD91046
ChemicalName
1-Nitro-3-(2,2,2-trifluoroethoxy)benzene
CasNumber
87014-29-7
MolecularFormula
C8H6F3NO3
MolecularWeight
221.1333
MdlNumber
MFCD08696599
Smiles
[O-][N+](=O)c1cccc(c1)OCC(F)(F)F
Complexity
226
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AD91046
ChemicalName: 1-Nitro-3-(2,2,2-trifluoroethoxy)benzene
CasNumber: 87014-29-7
MolecularFormula: C8H6F3NO3
MolecularWeight: 221.1333
MdlNumber: MFCD08696599
Smiles: [O-][N+](=O)c1cccc(c1)OCC(F)(F)F
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AD91046
ChemicalName:
1-Nitro-3-(2,2,2-trifluoroethoxy)benzene
CasNumber:
87014-29-7
MolecularFormula:
C8H6F3NO3
MolecularWeight:
221.1333
MdlNumber:
MFCD08696599
Smiles:
[O-][N+](=O)c1cccc(c1)OCC(F)(F)F
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
RotatableBondCount:
2
Xlogp3:
3.3
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Smiles: Cc1nc(Cl)c2c(c1)n(C)cn2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Cc1nc(Cl)c2c(c1)n(C)cn2
Complexity:
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCCCC(C(=O)C(=O)OCC)C(=O)OCC
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Smiles:
CCCCC(C(=O)C(=O)OCC)C(=O)OCC
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: OC(=O)C1CCCc2n1cnc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)C1CCCc2n1cnc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__