AI64492
955407-62-2 | 4-(4-Methylpiperazinocarbonyl)phenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI64492
ChemicalName
4-(4-Methylpiperazinocarbonyl)phenylboronic acid, pinacol ester
CasNumber
955407-62-2
MolecularFormula
C18H28BClN2O3
MolecularWeight
366.6905
MdlNumber
MFCD15142969
Smiles
CN1CCN(CC1)C(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C.Cl
Complexity
451
Covalently-bondedUnitCount
2
HeavyAtomCount
25
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
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CatalogNumber: AI64492
ChemicalName: 4-(4-Methylpiperazinocarbonyl)phenylboronic acid, pinacol ester
CasNumber: 955407-62-2
MolecularFormula: C18H28BClN2O3
MolecularWeight: 366.6905
MdlNumber: MFCD15142969
Smiles: CN1CCN(CC1)C(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C.Cl
Complexity: 451
Covalently-bondedUnitCount: 2
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AI64492
ChemicalName:
4-(4-Methylpiperazinocarbonyl)phenylboronic acid, pinacol ester
CasNumber:
955407-62-2
MolecularFormula:
C18H28BClN2O3
MolecularWeight:
366.6905
MdlNumber:
MFCD15142969
Smiles:
CN1CCN(CC1)C(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C.Cl
Complexity:
451
Covalently-bondedUnitCount:
2
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
CatalogNumber: AI64493
ChemicalName: 3-(2-Hydroxyethylcarbamoyl)phenylboronic acid
CasNumber: 955422-14-7
MolecularFormula: C9H12BNO4
MolecularWeight: 209.0069
MdlNumber: MFCD09878355
Smiles: OCCNC(=O)c1cccc(c1)B(O)O
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 4
RotatableBondCount: 4
CatalogNumber:
AI64493
ChemicalName:
3-(2-Hydroxyethylcarbamoyl)phenylboronic acid
CasNumber:
955422-14-7
MolecularFormula:
C9H12BNO4
MolecularWeight:
209.0069
MdlNumber:
MFCD09878355
Smiles:
OCCNC(=O)c1cccc(c1)B(O)O
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
4
RotatableBondCount:
4
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Smiles: COC[C@H]1CNCC1
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COC[C@H]1CNCC1
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Smiles: CC(=O)Nc1ccc2c(c1)cn[nH]2
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Smiles:
CC(=O)Nc1ccc2c(c1)cn[nH]2
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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