AA19825
1149352-55-5 | 5-Methyl-2-(1h-1,2,3-triazol-1-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA19825
ChemicalName
5-Methyl-2-(1h-1,2,3-triazol-1-yl)benzoic acid
CasNumber
1149352-55-5
MolecularFormula
C10H9N3O2
MolecularWeight
203.1974
MdlNumber
MFCD22124907
Smiles
Cc1ccc(c(c1)C(=O)O)n1nncc1
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.2
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CatalogNumber: AA19825
ChemicalName: 5-Methyl-2-(1h-1,2,3-triazol-1-yl)benzoic acid
CasNumber: 1149352-55-5
MolecularFormula: C10H9N3O2
MolecularWeight: 203.1974
MdlNumber: MFCD22124907
Smiles: Cc1ccc(c(c1)C(=O)O)n1nncc1
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.2
CatalogNumber:
AA19825
ChemicalName:
5-Methyl-2-(1h-1,2,3-triazol-1-yl)benzoic acid
CasNumber:
1149352-55-5
MolecularFormula:
C10H9N3O2
MolecularWeight:
203.1974
MdlNumber:
MFCD22124907
Smiles:
Cc1ccc(c(c1)C(=O)O)n1nncc1
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.2
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Smiles: Cn1cc2c(c1B1OC(C(O1)(C)C)(C)C)cccc2
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
Cn1cc2c(c1B1OC(C(O1)(C)C)(C)C)cccc2
Complexity:
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Smiles: CCCCCc1ccc(nc1)c1ccc(cc1)OC
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Smiles:
CCCCCc1ccc(nc1)c1ccc(cc1)OC
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RotatableBondCount:
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Smiles: CCOC(=NNC(=O)c1cnn(c1N)C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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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:
CCOC(=NNC(=O)c1cnn(c1N)C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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