AE23473
112779-13-2 | Ethyl 1-(tert-butyl)-5-chloro-1h-pyrazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE23473
ChemicalName
Ethyl 1-(tert-butyl)-5-chloro-1h-pyrazole-4-carboxylate
CasNumber
112779-13-2
MolecularFormula
C10H15ClN2O2
MolecularWeight
230.6913
MdlNumber
MFCD17206148
Smiles
CCOC(=O)c1cnn(c1Cl)C(C)(C)C
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
2.3
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CatalogNumber: AE23473
ChemicalName: Ethyl 1-(tert-butyl)-5-chloro-1h-pyrazole-4-carboxylate
CasNumber: 112779-13-2
MolecularFormula: C10H15ClN2O2
MolecularWeight: 230.6913
MdlNumber: MFCD17206148
Smiles: CCOC(=O)c1cnn(c1Cl)C(C)(C)C
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AE23473
ChemicalName:
Ethyl 1-(tert-butyl)-5-chloro-1h-pyrazole-4-carboxylate
CasNumber:
112779-13-2
MolecularFormula:
C10H15ClN2O2
MolecularWeight:
230.6913
MdlNumber:
MFCD17206148
Smiles:
CCOC(=O)c1cnn(c1Cl)C(C)(C)C
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
2.3
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Smiles: CCOC(=O)c1cnn(c1Br)c1ccc(cc1)F
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Smiles:
CCOC(=O)c1cnn(c1Br)c1ccc(cc1)F
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Smiles: CCOC(=O)c1cnn(c1Cl)c1ccc(cc1)[N+](=O)[O-]
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Smiles:
CCOC(=O)c1cnn(c1Cl)c1ccc(cc1)[N+](=O)[O-]
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Smiles: COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC.Cl.Cl.Cl.Cl
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Smiles:
COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC.Cl.Cl.Cl.Cl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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