AH94309
883738-19-0 | 3-(4-Boc-1-piperazinylmethyl)benzeneboronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AH94309
ChemicalName
3-(4-Boc-1-piperazinylmethyl)benzeneboronic acid pinacol ester
CasNumber
883738-19-0
MolecularFormula
C22H35BN2O4
MolecularWeight
402.3353
MdlNumber
MFCD16294542
Smiles
O=C(N1CCN(CC1)Cc1cccc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity
566
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
5
RotatableBondCount
5
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CatalogNumber: AH94309
ChemicalName: 3-(4-Boc-1-piperazinylmethyl)benzeneboronic acid pinacol ester
CasNumber: 883738-19-0
MolecularFormula: C22H35BN2O4
MolecularWeight: 402.3353
MdlNumber: MFCD16294542
Smiles: O=C(N1CCN(CC1)Cc1cccc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity: 566
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
CatalogNumber:
AH94309
ChemicalName:
3-(4-Boc-1-piperazinylmethyl)benzeneboronic acid pinacol ester
CasNumber:
883738-19-0
MolecularFormula:
C22H35BN2O4
MolecularWeight:
402.3353
MdlNumber:
MFCD16294542
Smiles:
O=C(N1CCN(CC1)Cc1cccc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity:
566
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
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Smiles: NCc1ncc(cc1F)F.Cl
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Smiles:
NCc1ncc(cc1F)F.Cl
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HydrogenBondAcceptorCount:
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Smiles: [O-][N+](=O)c1ccc(cc1)OC1CCOCC1
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Smiles:
[O-][N+](=O)c1ccc(cc1)OC1CCOCC1
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CC([S@@](=O)N=C1CCCC1)(C)C
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RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC([S@@](=O)N=C1CCCC1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__