AB46089
37622-90-5 | Ethyl 4-pyrazolecarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB46089
ChemicalName
Ethyl 4-pyrazolecarboxylate
CasNumber
37622-90-5
MolecularFormula
C6H8N2O2
MolecularWeight
140.1399
MdlNumber
MFCD00010844
Smiles
CCOC(=O)c1c[nH]nc1
Complexity
127
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.4
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CatalogNumber: AB46089
ChemicalName: Ethyl 4-pyrazolecarboxylate
CasNumber: 37622-90-5
MolecularFormula: C6H8N2O2
MolecularWeight: 140.1399
MdlNumber: MFCD00010844
Smiles: CCOC(=O)c1c[nH]nc1
Complexity: 127
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.4
CatalogNumber:
AB46089
ChemicalName:
Ethyl 4-pyrazolecarboxylate
CasNumber:
37622-90-5
MolecularFormula:
C6H8N2O2
MolecularWeight:
140.1399
MdlNumber:
MFCD00010844
Smiles:
CCOC(=O)c1c[nH]nc1
Complexity:
127
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.4
CatalogNumber: AB46090
ChemicalName: Ethyl 5-(hydroxymethyl)-1h-pyrazole-3-carboxylate
CasNumber: 61453-48-3
MolecularFormula: C7H10N2O3
MolecularWeight: 170.1659
MdlNumber: MFCD16620142
Smiles: CCOC(=O)c1n[nH]c(c1)CO
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: -0.1
CatalogNumber:
AB46090
ChemicalName:
Ethyl 5-(hydroxymethyl)-1h-pyrazole-3-carboxylate
CasNumber:
61453-48-3
MolecularFormula:
C7H10N2O3
MolecularWeight:
170.1659
MdlNumber:
MFCD16620142
Smiles:
CCOC(=O)c1n[nH]c(c1)CO
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
-0.1
CatalogNumber: AB46091
ChemicalName: Ethyl 5-bromobenzofuran-2-carboxylate
CasNumber: 84102-69-2
MolecularFormula: C11H9BrO3
MolecularWeight: 269.0914
MdlNumber: MFCD02667598
Smiles: CCOC(=O)c1cc2c(o1)ccc(c2)Br
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AB46091
ChemicalName:
Ethyl 5-bromobenzofuran-2-carboxylate
CasNumber:
84102-69-2
MolecularFormula:
C11H9BrO3
MolecularWeight:
269.0914
MdlNumber:
MFCD02667598
Smiles:
CCOC(=O)c1cc2c(o1)ccc(c2)Br
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1nnc(nc1Cl)SC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1nnc(nc1Cl)SC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__