AD33146
400876-64-4 | 1-(3-Methylphenyl)-1H-pyrazole-4-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AD33146
ChemicalName
1-(3-Methylphenyl)-1H-pyrazole-4-carbaldehyde
CasNumber
400876-64-4
MolecularFormula
C11H10N2O
MolecularWeight
186.2099
MdlNumber
MFCD03780742
Smiles
O=Cc1cnn(c1)c1cccc(c1)C
Complexity
208
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AD33146
ChemicalName: 1-(3-Methylphenyl)-1H-pyrazole-4-carbaldehyde
CasNumber: 400876-64-4
MolecularFormula: C11H10N2O
MolecularWeight: 186.2099
MdlNumber: MFCD03780742
Smiles: O=Cc1cnn(c1)c1cccc(c1)C
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AD33146
ChemicalName:
1-(3-Methylphenyl)-1H-pyrazole-4-carbaldehyde
CasNumber:
400876-64-4
MolecularFormula:
C11H10N2O
MolecularWeight:
186.2099
MdlNumber:
MFCD03780742
Smiles:
O=Cc1cnn(c1)c1cccc(c1)C
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
1.7
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Smiles: Brc1cnc(nc1)c1ncc(cn1)Br
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HydrogenBondAcceptorCount: __
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Smiles:
Brc1cnc(nc1)c1ncc(cn1)Br
Complexity:
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Smiles: O=Cc1ccc(cc1)OCc1ccccc1C
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Smiles:
O=Cc1ccc(cc1)OCc1ccccc1C
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCCCCCCCCCC(=O)O[C@@H](C[N+](C)(C)C)CC(=O)[O-]
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Smiles:
CCCCCCCCCCC(=O)O[C@@H](C[N+](C)(C)C)CC(=O)[O-]
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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