AI91599
20725-34-2 | 1-(4-Bromophenyl)-5-methyl-1h-1,2,3-triazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI91599
ChemicalName
1-(4-Bromophenyl)-5-methyl-1h-1,2,3-triazole-4-carboxylic acid
CasNumber
20725-34-2
MolecularFormula
C10H8BrN3O2
MolecularWeight
282.0934
MdlNumber
MFCD02168482
Smiles
OC(=O)c1nnn(c1C)c1ccc(cc1)Br
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AI91599
ChemicalName: 1-(4-Bromophenyl)-5-methyl-1h-1,2,3-triazole-4-carboxylic acid
CasNumber: 20725-34-2
MolecularFormula: C10H8BrN3O2
MolecularWeight: 282.0934
MdlNumber: MFCD02168482
Smiles: OC(=O)c1nnn(c1C)c1ccc(cc1)Br
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AI91599
ChemicalName:
1-(4-Bromophenyl)-5-methyl-1h-1,2,3-triazole-4-carboxylic acid
CasNumber:
20725-34-2
MolecularFormula:
C10H8BrN3O2
MolecularWeight:
282.0934
MdlNumber:
MFCD02168482
Smiles:
OC(=O)c1nnn(c1C)c1ccc(cc1)Br
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.3
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Smiles: O=Cc1ccc(cc1)OCCN1CC(C)CC(C1)C.Cl
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O=Cc1ccc(cc1)OCCN1CC(C)CC(C1)C.Cl
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Smiles: Nc1ccc2-c3c(S(=O)(=O)c2c1)cc(cc3)N
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Nc1ccc2-c3c(S(=O)(=O)c2c1)cc(cc3)N
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Smiles: N#CCCN(S(=O)(=O)c1cccc2c1nsn2)CCN1CCCC1
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Smiles:
N#CCCN(S(=O)(=O)c1cccc2c1nsn2)CCN1CCCC1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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