AX09172
458543-79-8 | 3-Chloro-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AX09172
ChemicalName
3-Chloro-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid
CasNumber
458543-79-8
MolecularFormula
C9H5Cl2N3O2
MolecularWeight
258.0609
MdlNumber
MFCD18260764
Smiles
Clc1nn(c(c1)C(=O)O)c1ncccc1Cl
Complexity
280
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AX09172
ChemicalName: 3-Chloro-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid
CasNumber: 458543-79-8
MolecularFormula: C9H5Cl2N3O2
MolecularWeight: 258.0609
MdlNumber: MFCD18260764
Smiles: Clc1nn(c(c1)C(=O)O)c1ncccc1Cl
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AX09172
ChemicalName:
3-Chloro-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid
CasNumber:
458543-79-8
MolecularFormula:
C9H5Cl2N3O2
MolecularWeight:
258.0609
MdlNumber:
MFCD18260764
Smiles:
Clc1nn(c(c1)C(=O)O)c1ncccc1Cl
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.6
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Smiles: CC1(C)OB(OC1(C)C)C1CCc2c(C1)cccc2
Complexity: __
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Smiles:
CC1(C)OB(OC1(C)C)C1CCc2c(C1)cccc2
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Smiles: CCOC(=O)c1cnc2n1c(ccc2)C(F)(F)F
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Smiles:
CCOC(=O)c1cnc2n1c(ccc2)C(F)(F)F
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: ClCc1c(C)cccc1F
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Smiles:
ClCc1c(C)cccc1F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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