AD68498
1073355-04-0 | 3-[3-(Ethoxycarbonyl)piperidine-1-carbonyl]phenylboronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AD68498
ChemicalName
3-[3-(Ethoxycarbonyl)piperidine-1-carbonyl]phenylboronic acid pinacol ester
CasNumber
1073355-04-0
MolecularFormula
C21H30BNO5
MolecularWeight
387.2776
MdlNumber
MFCD09266178
Smiles
CCOC(=O)C1CCCN(C1)C(=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity
577
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
5
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
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CatalogNumber: AD68498
ChemicalName: 3-[3-(Ethoxycarbonyl)piperidine-1-carbonyl]phenylboronic acid pinacol ester
CasNumber: 1073355-04-0
MolecularFormula: C21H30BNO5
MolecularWeight: 387.2776
MdlNumber: MFCD09266178
Smiles: CCOC(=O)C1CCCN(C1)C(=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 577
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AD68498
ChemicalName:
3-[3-(Ethoxycarbonyl)piperidine-1-carbonyl]phenylboronic acid pinacol ester
CasNumber:
1073355-04-0
MolecularFormula:
C21H30BNO5
MolecularWeight:
387.2776
MdlNumber:
MFCD09266178
Smiles:
CCOC(=O)C1CCCN(C1)C(=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
577
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
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Smiles: CC(=CCCB1OC(C(O1)(C)C)(C)C)C
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CC(=CCCB1OC(C(O1)(C)C)(C)C)C
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Smiles: Fc1cc(/C=C/B2OC(C(O2)(C)C)(C)C)cc(c1)F
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Smiles:
Fc1cc(/C=C/B2OC(C(O2)(C)C)(C)C)cc(c1)F
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UndefinedAtomStereocenterCount:
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Smiles: O=Cc1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=Cc1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__