AI54392
647855-18-3 | 4-Nitro-2-(trifluoromethoxy)anisole
Manufacturer: A2B Chem
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CatalogNumber
AI54392
ChemicalName
4-Nitro-2-(trifluoromethoxy)anisole
CasNumber
647855-18-3
MolecularFormula
C8H6F3NO4
MolecularWeight
237.1327
MdlNumber
MFCD18399920
Smiles
COc1ccc(cc1OC(F)(F)F)[N+](=O)[O-]
Complexity
253
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
7
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AI54392
ChemicalName: 4-Nitro-2-(trifluoromethoxy)anisole
CasNumber: 647855-18-3
MolecularFormula: C8H6F3NO4
MolecularWeight: 237.1327
MdlNumber: MFCD18399920
Smiles: COc1ccc(cc1OC(F)(F)F)[N+](=O)[O-]
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AI54392
ChemicalName:
4-Nitro-2-(trifluoromethoxy)anisole
CasNumber:
647855-18-3
MolecularFormula:
C8H6F3NO4
MolecularWeight:
237.1327
MdlNumber:
MFCD18399920
Smiles:
COc1ccc(cc1OC(F)(F)F)[N+](=O)[O-]
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CCc1cc(cc(c1OC)OC)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCc1cc(cc(c1OC)OC)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@H]1C[C@H](CN1C(=O)OC(C)(C)C)F
Complexity: 313
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@H]1C[C@H](CN1C(=O)OC(C)(C)C)F
Complexity:
313
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1c(Cl)n(c2c1cccc2)CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1c(Cl)n(c2c1cccc2)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__