AI64716
957060-95-6 | 3-(4-(2-Hydroxyethyl)piperazine-1-carbonyl)phenylboronic acid, HCl
Manufacturer: A2B Chem
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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
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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
CatalogNumber: AI64720
ChemicalName: Ethyl 8-bromoimidazo[1,2-a]pyridine-6-carboxylate, HCl
CasNumber: 957062-60-1
MolecularFormula: C10H10BrClN2O2
MolecularWeight: 305.5556
MdlNumber: MFCD09801004
Smiles: CCOC(=O)c1cc(Br)c2n(c1)ccn2.Cl
Complexity: 250
Covalently-bondedUnitCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AI64720
ChemicalName:
Ethyl 8-bromoimidazo[1,2-a]pyridine-6-carboxylate, HCl
CasNumber:
957062-60-1
MolecularFormula:
C10H10BrClN2O2
MolecularWeight:
305.5556
MdlNumber:
MFCD09801004
Smiles:
CCOC(=O)c1cc(Br)c2n(c1)ccn2.Cl
Complexity:
250
Covalently-bondedUnitCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3