AB02461
179692-09-2 | Ethyl 4-formyl-1h-pyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB02461
ChemicalName
Ethyl 4-formyl-1h-pyrazole-3-carboxylate
CasNumber
179692-09-2
MolecularFormula
C7H8N2O3
MolecularWeight
168.15
MdlNumber
MFCD07643185
Smiles
CCOC(=O)c1n[nH]cc1C=O
Complexity
184
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.2
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CatalogNumber: AB02461
ChemicalName: Ethyl 4-formyl-1h-pyrazole-3-carboxylate
CasNumber: 179692-09-2
MolecularFormula: C7H8N2O3
MolecularWeight: 168.15
MdlNumber: MFCD07643185
Smiles: CCOC(=O)c1n[nH]cc1C=O
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.2
CatalogNumber:
AB02461
ChemicalName:
Ethyl 4-formyl-1h-pyrazole-3-carboxylate
CasNumber:
179692-09-2
MolecularFormula:
C7H8N2O3
MolecularWeight:
168.15
MdlNumber:
MFCD07643185
Smiles:
CCOC(=O)c1n[nH]cc1C=O
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.2
CatalogNumber: AB02462
ChemicalName: Ethyl 4-iodo-1h-pyrazole-5-carboxylate
CasNumber: 179692-08-1
MolecularFormula: C6H7IN2O2
MolecularWeight: 266.0365
MdlNumber: MFCD00466329
Smiles: CCOC(=O)c1n[nH]cc1I
Complexity: 154
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AB02462
ChemicalName:
Ethyl 4-iodo-1h-pyrazole-5-carboxylate
CasNumber:
179692-08-1
MolecularFormula:
C6H7IN2O2
MolecularWeight:
266.0365
MdlNumber:
MFCD00466329
Smiles:
CCOC(=O)c1n[nH]cc1I
Complexity:
154
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cc(N(=O)=O)c(c(c1)N(=O)=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1cc(N(=O)=O)c(c(c1)N(=O)=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB02466
ChemicalName: 3,6-Dibromopyridazine
CasNumber: 17973-86-3
MolecularFormula: C4H2Br2N2
MolecularWeight: 237.8801
MdlNumber: MFCD00233947
Smiles: Brc1ccc(nn1)Br
Complexity: 68.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
AB02466
ChemicalName:
3,6-Dibromopyridazine
CasNumber:
17973-86-3
MolecularFormula:
C4H2Br2N2
MolecularWeight:
237.8801
MdlNumber:
MFCD00233947
Smiles:
Brc1ccc(nn1)Br
Complexity:
68.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9