AF56288
328-79-0 | 3-Methoxy-5-nitrobenzotrifluoride
Manufacturer: A2B Chem
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CatalogNumber
AF56288
ChemicalName
3-Methoxy-5-nitrobenzotrifluoride
CasNumber
328-79-0
MolecularFormula
C8H6F3NO3
MolecularWeight
221.1333
MdlNumber
MFCD00010446
Smiles
COc1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Complexity
238
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AF56288
ChemicalName: 3-Methoxy-5-nitrobenzotrifluoride
CasNumber: 328-79-0
MolecularFormula: C8H6F3NO3
MolecularWeight: 221.1333
MdlNumber: MFCD00010446
Smiles: COc1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Complexity: 238
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AF56288
ChemicalName:
3-Methoxy-5-nitrobenzotrifluoride
CasNumber:
328-79-0
MolecularFormula:
C8H6F3NO3
MolecularWeight:
221.1333
MdlNumber:
MFCD00010446
Smiles:
COc1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Complexity:
238
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCCCOC(=O)CSCC(=O)OCCCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCCCOC(=O)CSCC(=O)OCCCC
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CCCCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCCCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCC(C(=O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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:
CCCCCCCCC(C(=O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__