AA94102
175276-98-9 | Methyl 4-bromo-1-ethyl-3-methyl-1h-pyrazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA94102
ChemicalName
Methyl 4-bromo-1-ethyl-3-methyl-1h-pyrazole-5-carboxylate
CasNumber
175276-98-9
MolecularFormula
C8H11BrN2O2
MolecularWeight
247.0891
MdlNumber
MFCD00173775
Smiles
COC(=O)c1n(CC)nc(c1Br)C
Complexity
201
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AA94102
ChemicalName: Methyl 4-bromo-1-ethyl-3-methyl-1h-pyrazole-5-carboxylate
CasNumber: 175276-98-9
MolecularFormula: C8H11BrN2O2
MolecularWeight: 247.0891
MdlNumber: MFCD00173775
Smiles: COC(=O)c1n(CC)nc(c1Br)C
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AA94102
ChemicalName:
Methyl 4-bromo-1-ethyl-3-methyl-1h-pyrazole-5-carboxylate
CasNumber:
175276-98-9
MolecularFormula:
C8H11BrN2O2
MolecularWeight:
247.0891
MdlNumber:
MFCD00173775
Smiles:
COC(=O)c1n(CC)nc(c1Br)C
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.8
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Smiles: Fc1ccc(c(c1)F)c1scc(n1)C(=O)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
Fc1ccc(c(c1)F)c1scc(n1)C(=O)N
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Clc1ccc2c(c1)[nH]c(=S)n2C(C)C
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Smiles:
Clc1ccc2c(c1)[nH]c(=S)n2C(C)C
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: N#CCOc1ccc(cc1)C1=NCCS1
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N#CCOc1ccc(cc1)C1=NCCS1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__