AI03452
957062-83-8 | Ethyl 1-(ethoxymethyl)-1H-imidazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI03452
ChemicalName
Ethyl 1-(ethoxymethyl)-1H-imidazole-4-carboxylate
CasNumber
957062-83-8
MolecularFormula
C9H14N2O3
MolecularWeight
198.2191
MdlNumber
MFCD09878405
Smiles
CCOCn1cnc(c1)C(=O)OCC
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
6
Xlogp3
0.8
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CatalogNumber: AI03452
ChemicalName: Ethyl 1-(ethoxymethyl)-1H-imidazole-4-carboxylate
CasNumber: 957062-83-8
MolecularFormula: C9H14N2O3
MolecularWeight: 198.2191
MdlNumber: MFCD09878405
Smiles: CCOCn1cnc(c1)C(=O)OCC
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 0.8
CatalogNumber:
AI03452
ChemicalName:
Ethyl 1-(ethoxymethyl)-1H-imidazole-4-carboxylate
CasNumber:
957062-83-8
MolecularFormula:
C9H14N2O3
MolecularWeight:
198.2191
MdlNumber:
MFCD09878405
Smiles:
CCOCn1cnc(c1)C(=O)OCC
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
0.8
CatalogNumber: AI03453
ChemicalName: 3-Hydroxy-5-(trifluoromethyl)phenylboronic acid
CasNumber: 957062-66-7
MolecularFormula: C7H6BF3O3
MolecularWeight: 205.9269
MdlNumber: MFCD09878337
Smiles: Oc1cc(cc(c1)C(F)(F)F)B(O)O
Complexity: 197
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AI03453
ChemicalName:
3-Hydroxy-5-(trifluoromethyl)phenylboronic acid
CasNumber:
957062-66-7
MolecularFormula:
C7H6BF3O3
MolecularWeight:
205.9269
MdlNumber:
MFCD09878337
Smiles:
Oc1cc(cc(c1)C(F)(F)F)B(O)O
Complexity:
197
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AI03454
ChemicalName: 5-Chloro-2-(methoxycarbonyl)phenylboronic acid
CasNumber: 957062-64-5
MolecularFormula: C8H8BClO4
MolecularWeight: 214.4107
MdlNumber: MFCD09878336
Smiles: COC(=O)c1ccc(cc1B(O)O)Cl
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AI03454
ChemicalName:
5-Chloro-2-(methoxycarbonyl)phenylboronic acid
CasNumber:
957062-64-5
MolecularFormula:
C8H8BClO4
MolecularWeight:
214.4107
MdlNumber:
MFCD09878336
Smiles:
COC(=O)c1ccc(cc1B(O)O)Cl
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: AI03455
ChemicalName: 4-(4-Fluoro-2-nitrophenoxy)phenylboronic acid
CasNumber: 957062-59-8
MolecularFormula: C12H9BFNO5
MolecularWeight: 277.013
MdlNumber: MFCD09800895
Smiles: Fc1ccc(c(c1)[N+](=O)[O-])Oc1ccc(cc1)B(O)O
Complexity: 332
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AI03455
ChemicalName:
4-(4-Fluoro-2-nitrophenoxy)phenylboronic acid
CasNumber:
957062-59-8
MolecularFormula:
C12H9BFNO5
MolecularWeight:
277.013
MdlNumber:
MFCD09800895
Smiles:
Fc1ccc(c(c1)[N+](=O)[O-])Oc1ccc(cc1)B(O)O
Complexity:
332
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
__