AC48977
80245-34-7 | 1-Nitro-4-[4-(trifluoromethyl)phenyl]benzene
Manufacturer: A2B Chem
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CatalogNumber
AC48977
ChemicalName
1-Nitro-4-[4-(trifluoromethyl)phenyl]benzene
CasNumber
80245-34-7
MolecularFormula
C13H8F3NO2
MolecularWeight
267.2033
MdlNumber
MFCD21609607
Smiles
[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(F)(F)F
Complexity
311
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
RotatableBondCount
1
Xlogp3
4.2
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CatalogNumber: AC48977
ChemicalName: 1-Nitro-4-[4-(trifluoromethyl)phenyl]benzene
CasNumber: 80245-34-7
MolecularFormula: C13H8F3NO2
MolecularWeight: 267.2033
MdlNumber: MFCD21609607
Smiles: [O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(F)(F)F
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 4.2
CatalogNumber:
AC48977
ChemicalName:
1-Nitro-4-[4-(trifluoromethyl)phenyl]benzene
CasNumber:
80245-34-7
MolecularFormula:
C13H8F3NO2
MolecularWeight:
267.2033
MdlNumber:
MFCD21609607
Smiles:
[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(F)(F)F
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
4.2
CatalogNumber: AC48980
ChemicalName: 4-(4-Fluorophenyl)-1H-1,2,4-triazol-5(4H)-one
CasNumber: 80240-40-0
MolecularFormula: C8H6FN3O
MolecularWeight: 179.1511
MdlNumber: MFCD11053874
Smiles: Fc1ccc(cc1)n1cn[nH]c1=O
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AC48980
ChemicalName:
4-(4-Fluorophenyl)-1H-1,2,4-triazol-5(4H)-one
CasNumber:
80240-40-0
MolecularFormula:
C8H6FN3O
MolecularWeight:
179.1511
MdlNumber:
MFCD11053874
Smiles:
Fc1ccc(cc1)n1cn[nH]c1=O
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1
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Smiles: Nc1cc2c([nH]1)nccc2
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Smiles:
Nc1cc2c([nH]1)nccc2
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Smiles: CCCCC[C@@H](/C=C/C=C/C=C/[C@@H](CC=CCCCC(=O)O)O)O
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Smiles:
CCCCC[C@@H](/C=C/C=C/C=C/[C@@H](CC=CCCCC(=O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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