AD59450
118863-62-0 | 3-(4-Bromophenyl)-1H-1,2,4-triazole
Manufacturer: A2B Chem
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CatalogNumber
AD59450
ChemicalName
3-(4-Bromophenyl)-1H-1,2,4-triazole
CasNumber
118863-62-0
MolecularFormula
C8H6BrN3
MolecularWeight
224.0573
MdlNumber
MFCD16659605
Smiles
Brc1ccc(cc1)c1n[nH]cn1
Complexity
145
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.3
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CatalogNumber: AD59450
ChemicalName: 3-(4-Bromophenyl)-1H-1,2,4-triazole
CasNumber: 118863-62-0
MolecularFormula: C8H6BrN3
MolecularWeight: 224.0573
MdlNumber: MFCD16659605
Smiles: Brc1ccc(cc1)c1n[nH]cn1
Complexity: 145
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AD59450
ChemicalName:
3-(4-Bromophenyl)-1H-1,2,4-triazole
CasNumber:
118863-62-0
MolecularFormula:
C8H6BrN3
MolecularWeight:
224.0573
MdlNumber:
MFCD16659605
Smiles:
Brc1ccc(cc1)c1n[nH]cn1
Complexity:
145
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: __
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Smiles: CC(OC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)C
Complexity: __
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Smiles:
CC(OC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)C
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Smiles: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)CC(C)C)C(C)C)N
Complexity: __
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Smiles:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)CC(C)C)C(C)C)N
Complexity:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=C1OC(C(N1N)([2H])[2H])([2H])[2H]
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HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1OC(C(N1N)([2H])[2H])([2H])[2H]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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