AI62890
942040-15-5 | Ethyl 5-(2-methylphenyl)-2H-pyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI62890
ChemicalName
Ethyl 5-(2-methylphenyl)-2H-pyrazole-3-carboxylate
CasNumber
942040-15-5
MolecularFormula
C13H14N2O2
MolecularWeight
230.2625
MdlNumber
MFCD09749415
Smiles
CCOC(=O)c1[nH]nc(c1)c1ccccc1C
Complexity
270
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.8
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CatalogNumber: AI62890
ChemicalName: Ethyl 5-(2-methylphenyl)-2H-pyrazole-3-carboxylate
CasNumber: 942040-15-5
MolecularFormula: C13H14N2O2
MolecularWeight: 230.2625
MdlNumber: MFCD09749415
Smiles: CCOC(=O)c1[nH]nc(c1)c1ccccc1C
Complexity: 270
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.8
CatalogNumber:
AI62890
ChemicalName:
Ethyl 5-(2-methylphenyl)-2H-pyrazole-3-carboxylate
CasNumber:
942040-15-5
MolecularFormula:
C13H14N2O2
MolecularWeight:
230.2625
MdlNumber:
MFCD09749415
Smiles:
CCOC(=O)c1[nH]nc(c1)c1ccccc1C
Complexity:
270
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.8
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
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Smiles: CC1=CC=C(C=C1)SC2C(C(C(C(O2)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC1=CC=C(C=C1)SC2C(C(C(C(O2)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1=CC=C(C=C1)SC2C(C(C(C(O2)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC1=CC=C(C=C1)SC2C(C(C(C(O2)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(=O)[nH]2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc2c(c1)c(c1ccccc1)c(c(=O)[nH]2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__