AI37915
1616930-46-1 | 3-(Ethoxycarbonyl)-1-methylpyrazole-5-boronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI37915
ChemicalName
3-(Ethoxycarbonyl)-1-methylpyrazole-5-boronic acid pinacol ester
CasNumber
1616930-46-1
MolecularFormula
C13H21BN2O4
MolecularWeight
280.1278
MdlNumber
MFCD18250656
Smiles
CCOC(=O)c1nn(c(c1)B1OC(C(O1)(C)C)(C)C)C
Complexity
373
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
RotatableBondCount
4
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CatalogNumber: AI37915
ChemicalName: 3-(Ethoxycarbonyl)-1-methylpyrazole-5-boronic acid pinacol ester
CasNumber: 1616930-46-1
MolecularFormula: C13H21BN2O4
MolecularWeight: 280.1278
MdlNumber: MFCD18250656
Smiles: CCOC(=O)c1nn(c(c1)B1OC(C(O1)(C)C)(C)C)C
Complexity: 373
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
CatalogNumber:
AI37915
ChemicalName:
3-(Ethoxycarbonyl)-1-methylpyrazole-5-boronic acid pinacol ester
CasNumber:
1616930-46-1
MolecularFormula:
C13H21BN2O4
MolecularWeight:
280.1278
MdlNumber:
MFCD18250656
Smiles:
CCOC(=O)c1nn(c(c1)B1OC(C(O1)(C)C)(C)C)C
Complexity:
373
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
CatalogNumber: AI37916
ChemicalName: Vincamine
CasNumber: 1617-90-9
MolecularFormula: C21H26N2O3
MolecularWeight: 354.4427
MdlNumber: MFCD00078054
Smiles: COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3
Complexity: 598
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
CatalogNumber:
AI37916
ChemicalName:
Vincamine
CasNumber:
1617-90-9
MolecularFormula:
C21H26N2O3
MolecularWeight:
354.4427
MdlNumber:
MFCD00078054
Smiles:
COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3
Complexity:
598
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
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Smiles: CCC(C(=O)O)Oc1ccc(cc1F)F
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CCC(C(=O)O)Oc1ccc(cc1F)F
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CCc1ccc(cc1)OC(C(=O)O)CC
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