AA41750
1269293-48-2 | Ethyl 5-bromo-1-methyl-1H-pyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA41750
ChemicalName
Ethyl 5-bromo-1-methyl-1H-pyrazole-3-carboxylate
CasNumber
1269293-48-2
MolecularFormula
C7H9BrN2O2
MolecularWeight
233.0626
MdlNumber
MFCD17168482
Smiles
CCOC(=O)c1nn(c(c1)Br)C
Complexity
177
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AA41750
ChemicalName: Ethyl 5-bromo-1-methyl-1H-pyrazole-3-carboxylate
CasNumber: 1269293-48-2
MolecularFormula: C7H9BrN2O2
MolecularWeight: 233.0626
MdlNumber: MFCD17168482
Smiles: CCOC(=O)c1nn(c(c1)Br)C
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AA41750
ChemicalName:
Ethyl 5-bromo-1-methyl-1H-pyrazole-3-carboxylate
CasNumber:
1269293-48-2
MolecularFormula:
C7H9BrN2O2
MolecularWeight:
233.0626
MdlNumber:
MFCD17168482
Smiles:
CCOC(=O)c1nn(c(c1)Br)C
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.8
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MolecularFormula: __
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Smiles: COc1cc(I)c(cc1Br)C=O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1cc(I)c(cc1Br)C=O
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C1CCCc2c(N1)c(Br)ccc2
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Smiles:
O=C1CCCc2c(N1)c(Br)ccc2
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: O=C(OC(C)(C)C)NCCc1nc2c([nH]1)nccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(OC(C)(C)C)NCCc1nc2c([nH]1)nccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__