AB58940
104206-65-7 | 2-{[2-nitro-4-(trifluoromethyl)phenyl]carbonyl}cyclohexane-1,3-dione
Manufacturer: A2B Chem
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CatalogNumber
AB58940
ChemicalName
2-{[2-nitro-4-(trifluoromethyl)phenyl]carbonyl}cyclohexane-1,3-dione
CasNumber
104206-65-7
MolecularFormula
C14H10F3NO5
MolecularWeight
329.2281
MdlNumber
MFCD01752192
Smiles
O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
Complexity
524
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
8
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AB58940
ChemicalName: 2-{[2-nitro-4-(trifluoromethyl)phenyl]carbonyl}cyclohexane-1,3-dione
CasNumber: 104206-65-7
MolecularFormula: C14H10F3NO5
MolecularWeight: 329.2281
MdlNumber: MFCD01752192
Smiles: O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
Complexity: 524
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 8
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AB58940
ChemicalName:
2-{[2-nitro-4-(trifluoromethyl)phenyl]carbonyl}cyclohexane-1,3-dione
CasNumber:
104206-65-7
MolecularFormula:
C14H10F3NO5
MolecularWeight:
329.2281
MdlNumber:
MFCD01752192
Smiles:
O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
Complexity:
524
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
8
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)CCOC1CCCCO1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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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:
[O-][N+](=O)CCOC1CCCCO1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB58942
ChemicalName: 2-(2-Nitrophenoxy)ethylamine, HCl
CasNumber: 98395-65-4
MolecularFormula: C8H11ClN2O3
MolecularWeight: 218.6375
MdlNumber: MFCD17171382
Smiles: NCCOc1ccccc1[N+](=O)[O-].Cl
Complexity: 169
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB58942
ChemicalName:
2-(2-Nitrophenoxy)ethylamine, HCl
CasNumber:
98395-65-4
MolecularFormula:
C8H11ClN2O3
MolecularWeight:
218.6375
MdlNumber:
MFCD17171382
Smiles:
NCCOc1ccccc1[N+](=O)[O-].Cl
Complexity:
169
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc(nc1)c1cc2c(s1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc(nc1)c1cc2c(s1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__