AD58877
22227-63-0 | Methyl 3-nitro-5-(trifluoromethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AD58877
ChemicalName
Methyl 3-nitro-5-(trifluoromethyl)benzoate
CasNumber
22227-63-0
MolecularFormula
C9H6F3NO4
MolecularWeight
249.1434
MdlNumber
MFCD06637356
Smiles
COC(=O)c1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Complexity
312
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
7
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AD58877
ChemicalName: Methyl 3-nitro-5-(trifluoromethyl)benzoate
CasNumber: 22227-63-0
MolecularFormula: C9H6F3NO4
MolecularWeight: 249.1434
MdlNumber: MFCD06637356
Smiles: COC(=O)c1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AD58877
ChemicalName:
Methyl 3-nitro-5-(trifluoromethyl)benzoate
CasNumber:
22227-63-0
MolecularFormula:
C9H6F3NO4
MolecularWeight:
249.1434
MdlNumber:
MFCD06637356
Smiles:
COC(=O)c1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: __
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Smiles: CC(c1ccc(cc1)O)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
CC(c1ccc(cc1)O)C#N
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: OCCN(c1ccc(c(c1)C)C=O)CC
Complexity: __
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HydrogenBondAcceptorCount: __
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MolecularFormula:
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Smiles:
OCCN(c1ccc(c(c1)C)C=O)CC
Complexity:
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: Nc1ccc(c(c1)O)c1ccccc1
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
Nc1ccc(c(c1)O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__