AI64715
957060-92-3 | 3-(4-Methylpiperazine-1-carbonyl)phenylboronic acid, HCl
Manufacturer: A2B Chem
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CatalogNumber
AI64715
ChemicalName
3-(4-Methylpiperazine-1-carbonyl)phenylboronic acid, HCl
CasNumber
957060-92-3
MolecularFormula
C12H18BClN2O3
MolecularWeight
284.5469
MdlNumber
MFCD09027254
Smiles
CN1CCN(CC1)C(=O)c1cccc(c1)B(O)O.Cl
Complexity
293
Covalently-bondedUnitCount
2
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
2
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CatalogNumber: AI64715
ChemicalName: 3-(4-Methylpiperazine-1-carbonyl)phenylboronic acid, HCl
CasNumber: 957060-92-3
MolecularFormula: C12H18BClN2O3
MolecularWeight: 284.5469
MdlNumber: MFCD09027254
Smiles: CN1CCN(CC1)C(=O)c1cccc(c1)B(O)O.Cl
Complexity: 293
Covalently-bondedUnitCount: 2
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 2
CatalogNumber:
AI64715
ChemicalName:
3-(4-Methylpiperazine-1-carbonyl)phenylboronic acid, HCl
CasNumber:
957060-92-3
MolecularFormula:
C12H18BClN2O3
MolecularWeight:
284.5469
MdlNumber:
MFCD09027254
Smiles:
CN1CCN(CC1)C(=O)c1cccc(c1)B(O)O.Cl
Complexity:
293
Covalently-bondedUnitCount:
2
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
2
CatalogNumber: AI64716
ChemicalName: 3-(4-(2-Hydroxyethyl)piperazine-1-carbonyl)phenylboronic acid, HCl
CasNumber: 957060-95-6
MolecularFormula: C13H20BClN2O4
MolecularWeight: 314.5729
MdlNumber: MFCD09027253
Smiles: OCCN1CCN(CC1)C(=O)c1cccc(c1)B(O)O.Cl
Complexity: 322
Covalently-bondedUnitCount: 2
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 4
RotatableBondCount: 4
CatalogNumber:
AI64716
ChemicalName:
3-(4-(2-Hydroxyethyl)piperazine-1-carbonyl)phenylboronic acid, HCl
CasNumber:
957060-95-6
MolecularFormula:
C13H20BClN2O4
MolecularWeight:
314.5729
MdlNumber:
MFCD09027253
Smiles:
OCCN1CCN(CC1)C(=O)c1cccc(c1)B(O)O.Cl
Complexity:
322
Covalently-bondedUnitCount:
2
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
4
RotatableBondCount:
4
CatalogNumber: AI64717
ChemicalName: 3-Borono-N-(2-chloro-4-methylphenyl)benzamide
CasNumber: 957060-97-8
MolecularFormula: C14H13BClNO3
MolecularWeight: 289.5219
MdlNumber: MFCD09027260
Smiles: Cc1ccc(c(c1)Cl)NC(=O)c1cccc(c1)B(O)O
Complexity: 342
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 3
CatalogNumber:
AI64717
ChemicalName:
3-Borono-N-(2-chloro-4-methylphenyl)benzamide
CasNumber:
957060-97-8
MolecularFormula:
C14H13BClNO3
MolecularWeight:
289.5219
MdlNumber:
MFCD09027260
Smiles:
Cc1ccc(c(c1)Cl)NC(=O)c1cccc(c1)B(O)O
Complexity:
342
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
3
CatalogNumber: AI64718
ChemicalName: 1,2-Di(4-boronophenoxy)ethane, dipinacol ester
CasNumber: 957061-07-3
MolecularFormula: C26H36B2O6
MolecularWeight: 466.1824
MdlNumber: MFCD09258655
Smiles: CC1(C)OB(OC1(C)C)c1ccc(cc1)OCCOc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity: 591
Covalently-bondedUnitCount: 1
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 7
CatalogNumber:
AI64718
ChemicalName:
1,2-Di(4-boronophenoxy)ethane, dipinacol ester
CasNumber:
957061-07-3
MolecularFormula:
C26H36B2O6
MolecularWeight:
466.1824
MdlNumber:
MFCD09258655
Smiles:
CC1(C)OB(OC1(C)C)c1ccc(cc1)OCCOc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity:
591
Covalently-bondedUnitCount:
1
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
7