AF31686
228418-45-9 | Methyl 2-nitro-4-(trifluoromethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AF31686
ChemicalName
Methyl 2-nitro-4-(trifluoromethyl)benzoate
CasNumber
228418-45-9
MolecularFormula
C9H6F3NO4
MolecularWeight
249.1434
MdlNumber
MFCD08282772
Smiles
COC(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
Complexity
312
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
7
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AF31686
ChemicalName: Methyl 2-nitro-4-(trifluoromethyl)benzoate
CasNumber: 228418-45-9
MolecularFormula: C9H6F3NO4
MolecularWeight: 249.1434
MdlNumber: MFCD08282772
Smiles: COC(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AF31686
ChemicalName:
Methyl 2-nitro-4-(trifluoromethyl)benzoate
CasNumber:
228418-45-9
MolecularFormula:
C9H6F3NO4
MolecularWeight:
249.1434
MdlNumber:
MFCD08282772
Smiles:
COC(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: __
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MolecularFormula: __
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Smiles: C1C[C@@H]2CCC[C@H](C1)N2.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
C1C[C@@H]2CCC[C@H](C1)N2.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: OCc1cc(F)c(cc1Cl)Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
OCc1cc(F)c(cc1Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__