AB40077
304693-70-7 | 1-(2-Methoxyethyl)-1h-pyrazole-4-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB40077
ChemicalName
1-(2-Methoxyethyl)-1h-pyrazole-4-carbaldehyde
CasNumber
304693-70-7
MolecularFormula
C7H10N2O2
MolecularWeight
154.1665
MdlNumber
MFCD13248693
Smiles
COCCn1cc(cn1)C=O
Complexity
130
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
-0.5
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CatalogNumber: AB40077
ChemicalName: 1-(2-Methoxyethyl)-1h-pyrazole-4-carbaldehyde
CasNumber: 304693-70-7
MolecularFormula: C7H10N2O2
MolecularWeight: 154.1665
MdlNumber: MFCD13248693
Smiles: COCCn1cc(cn1)C=O
Complexity: 130
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: -0.5
CatalogNumber:
AB40077
ChemicalName:
1-(2-Methoxyethyl)-1h-pyrazole-4-carbaldehyde
CasNumber:
304693-70-7
MolecularFormula:
C7H10N2O2
MolecularWeight:
154.1665
MdlNumber:
MFCD13248693
Smiles:
COCCn1cc(cn1)C=O
Complexity:
130
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
-0.5
CatalogNumber: AB40078
ChemicalName: 2-(Trifluoromethyl)pyrimidine-5-carbaldehyde
CasNumber: 304693-66-1
MolecularFormula: C6H3F3N2O
MolecularWeight: 176.096
MdlNumber: MFCD08752498
Smiles: O=Cc1cnc(nc1)C(F)(F)F
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 6
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AB40078
ChemicalName:
2-(Trifluoromethyl)pyrimidine-5-carbaldehyde
CasNumber:
304693-66-1
MolecularFormula:
C6H3F3N2O
MolecularWeight:
176.096
MdlNumber:
MFCD08752498
Smiles:
O=Cc1cnc(nc1)C(F)(F)F
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
6
RotatableBondCount:
1
Xlogp3:
0.6
CatalogNumber: AB40079
ChemicalName: Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate
CasNumber: 304693-64-9
MolecularFormula: C8H7F3N2O2
MolecularWeight: 220.1486
MdlNumber: MFCD09754048
Smiles: CCOC(=O)c1cnc(nc1)C(F)(F)F
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AB40079
ChemicalName:
Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate
CasNumber:
304693-64-9
MolecularFormula:
C8H7F3N2O2
MolecularWeight:
220.1486
MdlNumber:
MFCD09754048
Smiles:
CCOC(=O)c1cnc(nc1)C(F)(F)F
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
RotatableBondCount:
3
Xlogp3:
1.4
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Smiles: CN1CCCc2c1cc(cc2)NS(=O)(=O)C(F)(F)F
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Smiles:
CN1CCCc2c1cc(cc2)NS(=O)(=O)C(F)(F)F
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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