AG24936
500011-86-9 | 3-Bromo-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG24936
ChemicalName
3-Bromo-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxylic acid
CasNumber
500011-86-9
MolecularFormula
C9H5BrClN3O2
MolecularWeight
302.5119
MdlNumber
MFCD08689880
Smiles
Brc1nn(c(c1)C(=O)O)c1ncccc1Cl
Complexity
282
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AG24936
ChemicalName: 3-Bromo-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxylic acid
CasNumber: 500011-86-9
MolecularFormula: C9H5BrClN3O2
MolecularWeight: 302.5119
MdlNumber: MFCD08689880
Smiles: Brc1nn(c(c1)C(=O)O)c1ncccc1Cl
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AG24936
ChemicalName:
3-Bromo-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxylic acid
CasNumber:
500011-86-9
MolecularFormula:
C9H5BrClN3O2
MolecularWeight:
302.5119
MdlNumber:
MFCD08689880
Smiles:
Brc1nn(c(c1)C(=O)O)c1ncccc1Cl
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.7
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Smiles: CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)[O-])cc(cc2C)c1nc2c(n1C)cccc2.[Na+]
Complexity: __
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Smiles:
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)[O-])cc(cc2C)c1nc2c(n1C)cccc2.[Na+]
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Smiles: CC(=O)CC(=O)c1ccc2c(c1)OCO2
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Smiles:
CC(=O)CC(=O)c1ccc2c(c1)OCO2
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Smiles: CCCC(C(=O)OCC)(C(=O)OCC)C
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MolecularFormula:
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Smiles:
CCCC(C(=O)OCC)(C(=O)OCC)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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