AX56998
2096997-04-3 | 3-Amino-4-(4-BOC-piperazino)phenylboronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AX56998
ChemicalName
3-Amino-4-(4-BOC-piperazino)phenylboronic acid pinacol ester
CasNumber
2096997-04-3
MolecularFormula
C21H34BN3O4
MolecularWeight
403.3234
MdlNumber
MFCD22192424
Smiles
O=C(N1CCN(CC1)c1ccc(cc1N)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity
583
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
4
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CatalogNumber: AX56998
ChemicalName: 3-Amino-4-(4-BOC-piperazino)phenylboronic acid pinacol ester
CasNumber: 2096997-04-3
MolecularFormula: C21H34BN3O4
MolecularWeight: 403.3234
MdlNumber: MFCD22192424
Smiles: O=C(N1CCN(CC1)c1ccc(cc1N)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity: 583
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
CatalogNumber:
AX56998
ChemicalName:
3-Amino-4-(4-BOC-piperazino)phenylboronic acid pinacol ester
CasNumber:
2096997-04-3
MolecularFormula:
C21H34BN3O4
MolecularWeight:
403.3234
MdlNumber:
MFCD22192424
Smiles:
O=C(N1CCN(CC1)c1ccc(cc1N)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity:
583
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
CatalogNumber: __
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Smiles: Fc1ccc(cc1)c1nnc(n1Cc1ccccc1)S
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Smiles:
Fc1ccc(cc1)c1nnc(n1Cc1ccccc1)S
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Smiles: CCN(Cc1cc(F)ccc1B1OC(C(O1)(C)C)(C)C)CC.Cl
Complexity: 358
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Smiles:
CCN(Cc1cc(F)ccc1B1OC(C(O1)(C)C)(C)C)CC.Cl
Complexity:
358
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: FCC1(CC1)CS(=O)(=O)Cl
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Smiles:
FCC1(CC1)CS(=O)(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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