AG69118
5932-34-3 | Ethyl 4-bromo-1h-pyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG69118
ChemicalName
Ethyl 4-bromo-1h-pyrazole-3-carboxylate
CasNumber
5932-34-3
MolecularFormula
C6H7BrN2O2
MolecularWeight
219.036
MdlNumber
MFCD10697501
Smiles
CCOC(=O)c1n[nH]cc1Br
Complexity
154
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AG69118
ChemicalName: Ethyl 4-bromo-1h-pyrazole-3-carboxylate
CasNumber: 5932-34-3
MolecularFormula: C6H7BrN2O2
MolecularWeight: 219.036
MdlNumber: MFCD10697501
Smiles: CCOC(=O)c1n[nH]cc1Br
Complexity: 154
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AG69118
ChemicalName:
Ethyl 4-bromo-1h-pyrazole-3-carboxylate
CasNumber:
5932-34-3
MolecularFormula:
C6H7BrN2O2
MolecularWeight:
219.036
MdlNumber:
MFCD10697501
Smiles:
CCOC(=O)c1n[nH]cc1Br
Complexity:
154
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: __
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MolecularFormula: __
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Smiles: CCOc1cc(C#N)ccc1O
Complexity: __
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Xlogp3: __
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Smiles:
CCOc1cc(C#N)ccc1O
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Smiles: [O-][N+](=O)c1ccc(cc1)c1cc(cc(n1)c1ccco1)c1ccc(cc1)C(=O)N
Complexity: __
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Smiles:
[O-][N+](=O)c1ccc(cc1)c1cc(cc(n1)c1ccco1)c1ccc(cc1)C(=O)N
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__
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Smiles: CN1CCC(CC1)C(=O)c1cccc(n1)NC(=O)c1c(F)cc(cc1F)F.Cl
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Smiles:
CN1CCC(CC1)C(=O)c1cccc(n1)NC(=O)c1c(F)cc(cc1F)F.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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