AO86928
1239726-11-4 | 1-(2-Fluorophenyl)-5-methoxy-1h-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AO86928
ChemicalName
1-(2-Fluorophenyl)-5-methoxy-1h-pyrazole-3-carboxylic acid
CasNumber
1239726-11-4
MolecularFormula
C11H9FN2O3
MolecularWeight
236.1992
MdlNumber
MFCD16547222
Smiles
COc1cc(nn1c1ccccc1F)C(=O)O
Complexity
290
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AO86928
ChemicalName: 1-(2-Fluorophenyl)-5-methoxy-1h-pyrazole-3-carboxylic acid
CasNumber: 1239726-11-4
MolecularFormula: C11H9FN2O3
MolecularWeight: 236.1992
MdlNumber: MFCD16547222
Smiles: COc1cc(nn1c1ccccc1F)C(=O)O
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AO86928
ChemicalName:
1-(2-Fluorophenyl)-5-methoxy-1h-pyrazole-3-carboxylic acid
CasNumber:
1239726-11-4
MolecularFormula:
C11H9FN2O3
MolecularWeight:
236.1992
MdlNumber:
MFCD16547222
Smiles:
COc1cc(nn1c1ccccc1F)C(=O)O
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.2
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MolecularFormula: __
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Smiles: COc1cc(nn1c1ccc(cc1)C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1cc(nn1c1ccc(cc1)C)C(=O)O
Complexity:
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Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Brc1snc(n1)c1ccccc1
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Smiles:
Brc1snc(n1)c1ccccc1
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Brc1ccn2c(c1)nc(n2)c1ccccc1
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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:
Brc1ccn2c(c1)nc(n2)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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