AG23183
514816-42-3 | Methyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG23183
ChemicalName
Methyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate
CasNumber
514816-42-3
MolecularFormula
C6H7BrN2O2
MolecularWeight
219.03598
MdlNumber
MFCD01459850
Smiles
COC(=O)c1c(Br)cnn1C
Complexity
165
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AG23183
ChemicalName: Methyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate
CasNumber: 514816-42-3
MolecularFormula: C6H7BrN2O2
MolecularWeight: 219.03598
MdlNumber: MFCD01459850
Smiles: COC(=O)c1c(Br)cnn1C
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AG23183
ChemicalName:
Methyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate
CasNumber:
514816-42-3
MolecularFormula:
C6H7BrN2O2
MolecularWeight:
219.03598
MdlNumber:
MFCD01459850
Smiles:
COC(=O)c1c(Br)cnn1C
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.1
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Smiles: OCCc1ncccc1C
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
OCCc1ncccc1C
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RotatableBondCount:
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Smiles: OCc1ccccc1OC1CCOCC1
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Smiles:
OCc1ccccc1OC1CCOCC1
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RotatableBondCount:
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Smiles: NCc1ccc2c(c1)CC(O2)C
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MolecularFormula:
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Smiles:
NCc1ccc2c(c1)CC(O2)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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