AG33042
54672-10-5 | N-Methyl-4-nitro-2-(trifluoromethyl)aniline
Manufacturer: A2B Chem
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CatalogNumber
AG33042
ChemicalName
N-Methyl-4-nitro-2-(trifluoromethyl)aniline
CasNumber
54672-10-5
MolecularFormula
C8H7F3N2O2
MolecularWeight
220.1486
MdlNumber
MFCD00100091
Smiles
CNc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AG33042
ChemicalName: N-Methyl-4-nitro-2-(trifluoromethyl)aniline
CasNumber: 54672-10-5
MolecularFormula: C8H7F3N2O2
MolecularWeight: 220.1486
MdlNumber: MFCD00100091
Smiles: CNc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AG33042
ChemicalName:
N-Methyl-4-nitro-2-(trifluoromethyl)aniline
CasNumber:
54672-10-5
MolecularFormula:
C8H7F3N2O2
MolecularWeight:
220.1486
MdlNumber:
MFCD00100091
Smiles:
CNc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: AG33043
ChemicalName: 2-Morpholino-5-nitrobenzotrifluoride
CasNumber: 54672-11-6
MolecularFormula: C11H11F3N2O3
MolecularWeight: 276.2118
MdlNumber: MFCD00100093
Smiles: [O-][N+](=O)c1ccc(c(c1)C(F)(F)F)N1CCOCC1
Complexity: 326
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AG33043
ChemicalName:
2-Morpholino-5-nitrobenzotrifluoride
CasNumber:
54672-11-6
MolecularFormula:
C11H11F3N2O3
MolecularWeight:
276.2118
MdlNumber:
MFCD00100093
Smiles:
[O-][N+](=O)c1ccc(c(c1)C(F)(F)F)N1CCOCC1
Complexity:
326
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(NC(=O)C1CCCC1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(NC(=O)C1CCCC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNC(=O)C1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNC(=O)C1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__