AI64765
95728-10-2 | 3-(4-Fluorophenyl)-4H-1,2,4-triazole
Manufacturer: A2B Chem
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CatalogNumber
AI64765
ChemicalName
3-(4-Fluorophenyl)-4H-1,2,4-triazole
CasNumber
95728-10-2
MolecularFormula
C8H6FN3
MolecularWeight
163.1517
MdlNumber
MFCD18784761
Smiles
Fc1ccc(cc1)c1[nH]cnn1
Complexity
145
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AI64765
ChemicalName: 3-(4-Fluorophenyl)-4H-1,2,4-triazole
CasNumber: 95728-10-2
MolecularFormula: C8H6FN3
MolecularWeight: 163.1517
MdlNumber: MFCD18784761
Smiles: Fc1ccc(cc1)c1[nH]cnn1
Complexity: 145
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AI64765
ChemicalName:
3-(4-Fluorophenyl)-4H-1,2,4-triazole
CasNumber:
95728-10-2
MolecularFormula:
C8H6FN3
MolecularWeight:
163.1517
MdlNumber:
MFCD18784761
Smiles:
Fc1ccc(cc1)c1[nH]cnn1
Complexity:
145
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.7
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Smiles: CC1=CC(=CC(=C1OC(C)C)C)Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
CC1=CC(=CC(=C1OC(C)C)C)Cl
Complexity:
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Smiles: O=C([C@H]1CC(=O)N1)OCc1ccccc1
Complexity: __
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__
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:
O=C([C@H]1CC(=O)N1)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(N1C[C@@H](C[C@H]1C(=O)O)Cc1ccc(c(c1)F)F)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1C[C@@H](C[C@H]1C(=O)O)Cc1ccc(c(c1)F)F)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__