AI31776
1352227-38-3 | 6-Azaindole-4-boronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI31776
ChemicalName
6-Azaindole-4-boronic acid pinacol ester
CasNumber
1352227-38-3
MolecularFormula
C13H17BN2O2
MolecularWeight
244.0973
MdlNumber
MFCD21642070
Smiles
CC1(C)OB(OC1(C)C)c1cncc2c1cc[nH]2
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
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CatalogNumber: AI31776
ChemicalName: 6-Azaindole-4-boronic acid pinacol ester
CasNumber: 1352227-38-3
MolecularFormula: C13H17BN2O2
MolecularWeight: 244.0973
MdlNumber: MFCD21642070
Smiles: CC1(C)OB(OC1(C)C)c1cncc2c1cc[nH]2
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AI31776
ChemicalName:
6-Azaindole-4-boronic acid pinacol ester
CasNumber:
1352227-38-3
MolecularFormula:
C13H17BN2O2
MolecularWeight:
244.0973
MdlNumber:
MFCD21642070
Smiles:
CC1(C)OB(OC1(C)C)c1cncc2c1cc[nH]2
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
CatalogNumber: __
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Smiles: Cc1cnc(c(c1)B1OC(C(O1)(C)C)(C)C)N
Complexity: __
Covalently-bondedUnitCount: __
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RotatableBondCount: __
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Smiles:
Cc1cnc(c(c1)B1OC(C(O1)(C)C)(C)C)N
Complexity:
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Smiles: CS(=O)(=O)c1cccc(c1)N1CCNCC1.Cl
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MolecularWeight:
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Smiles:
CS(=O)(=O)c1cccc(c1)N1CCNCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: COCC(C(=O)NCc1ccccc1)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COCC(C(=O)NCc1ccccc1)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__