AC48980
80240-40-0 | 4-(4-Fluorophenyl)-1H-1,2,4-triazol-5(4H)-one
Manufacturer: A2B Chem
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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
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1
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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
HydrogenBondDonorCount: 1
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
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cc2c([nH]1)nccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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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MdlNumber:
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Smiles:
Nc1cc2c([nH]1)nccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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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: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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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:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCC[C@@H](/C=C/C=C/C=C/[C@H](CC=CCCCC(=O)O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCC[C@@H](/C=C/C=C/C=C/[C@H](CC=CCCCC(=O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__