AH96600
936694-19-8 | 4-(4-Boc-Piperazinomethyl)phenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AH96600
ChemicalName
4-(4-Boc-Piperazinomethyl)phenylboronic acid, pinacol ester
CasNumber
936694-19-8
MolecularFormula
C22H35BN2O4
MolecularWeight
402.3353
MdlNumber
MFCD16294502
Smiles
O=C(N1CCN(CC1)Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity
558
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
5
RotatableBondCount
5
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CatalogNumber: AH96600
ChemicalName: 4-(4-Boc-Piperazinomethyl)phenylboronic acid, pinacol ester
CasNumber: 936694-19-8
MolecularFormula: C22H35BN2O4
MolecularWeight: 402.3353
MdlNumber: MFCD16294502
Smiles: O=C(N1CCN(CC1)Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity: 558
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
CatalogNumber:
AH96600
ChemicalName:
4-(4-Boc-Piperazinomethyl)phenylboronic acid, pinacol ester
CasNumber:
936694-19-8
MolecularFormula:
C22H35BN2O4
MolecularWeight:
402.3353
MdlNumber:
MFCD16294502
Smiles:
O=C(N1CCN(CC1)Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity:
558
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
CatalogNumber: __
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Smiles: COCCCNC1CCN(CC1)C(=O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
COCCCNC1CCN(CC1)C(=O)OC(C)(C)C
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HydrogenBondAcceptorCount:
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Smiles: Brc1cccc(c1)C1CNCCN1C(=O)OC(C)(C)C
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Smiles:
Brc1cccc(c1)C1CNCCN1C(=O)OC(C)(C)C
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCOC(=O)c1ncsc1I
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCOC(=O)c1ncsc1I
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
__