AB67933
22300-56-7 | 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB67933
ChemicalName
5-Methyl-2-phenyl-2H-1,2,3-triazole-4-carboxylic acid
CasNumber
22300-56-7
MolecularFormula
C10H9N3O2
MolecularWeight
203.1974
MdlNumber
MFCD00051653
Smiles
OC(=O)c1nn(nc1C)c1ccccc1
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AB67933
ChemicalName: 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-carboxylic acid
CasNumber: 22300-56-7
MolecularFormula: C10H9N3O2
MolecularWeight: 203.1974
MdlNumber: MFCD00051653
Smiles: OC(=O)c1nn(nc1C)c1ccccc1
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AB67933
ChemicalName:
5-Methyl-2-phenyl-2H-1,2,3-triazole-4-carboxylic acid
CasNumber:
22300-56-7
MolecularFormula:
C10H9N3O2
MolecularWeight:
203.1974
MdlNumber:
MFCD00051653
Smiles:
OC(=O)c1nn(nc1C)c1ccccc1
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
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Smiles: O=C/C(=C/C(C)C)/c1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C/C(=C/C(C)C)/c1ccccc1
Complexity:
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Smiles: Cc1c[nH]c(n1)c1ccccc1
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Smiles:
Cc1c[nH]c(n1)c1ccccc1
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Smiles: Cc1ccnc(n1)C#N
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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:
Cc1ccnc(n1)C#N
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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