AB49546
376584-30-4 | 3,4-Dihydro-1(2H)-isoquinolinone-6-boronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AB49546
ChemicalName
3,4-Dihydro-1(2H)-isoquinolinone-6-boronic acid pinacol ester
CasNumber
376584-30-4
MolecularFormula
C15H20BNO3
MolecularWeight
273.1352
MdlNumber
MFCD11044671
Smiles
O=C1NCCc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C
Complexity
394
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
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CatalogNumber: AB49546
ChemicalName: 3,4-Dihydro-1(2H)-isoquinolinone-6-boronic acid pinacol ester
CasNumber: 376584-30-4
MolecularFormula: C15H20BNO3
MolecularWeight: 273.1352
MdlNumber: MFCD11044671
Smiles: O=C1NCCc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C
Complexity: 394
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AB49546
ChemicalName:
3,4-Dihydro-1(2H)-isoquinolinone-6-boronic acid pinacol ester
CasNumber:
376584-30-4
MolecularFormula:
C15H20BNO3
MolecularWeight:
273.1352
MdlNumber:
MFCD11044671
Smiles:
O=C1NCCc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C
Complexity:
394
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
CatalogNumber: AB49547
ChemicalName: Quinoline-6-boronic acid
CasNumber: 376581-24-7
MolecularFormula: C9H8BNO2
MolecularWeight: 172.9763
MdlNumber: MFCD13194044
Smiles: OB(c1ccc2c(c1)cccn2)O
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AB49547
ChemicalName:
Quinoline-6-boronic acid
CasNumber:
376581-24-7
MolecularFormula:
C9H8BNO2
MolecularWeight:
172.9763
MdlNumber:
MFCD13194044
Smiles:
OB(c1ccc2c(c1)cccn2)O
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
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Smiles: O=C[C@@H]1COCCN1C(=O)OC(C)(C)C
Complexity: __
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Smiles:
O=C[C@@H]1COCCN1C(=O)OC(C)(C)C
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Smiles: Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2
Complexity: 655
Covalently-bondedUnitCount: __
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HydrogenBondDonorCount: __
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Smiles:
Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2
Complexity:
655
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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