AH13223
685103-98-4 | Isoquinoline-4-boronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AH13223
ChemicalName
Isoquinoline-4-boronic acid, pinacol ester
CasNumber
685103-98-4
MolecularFormula
C15H18BNO2
MolecularWeight
255.1199
MdlNumber
MFCD05663891
Smiles
CC1(C)OB(OC1(C)C)c1cncc2c1cccc2
Complexity
329
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
RotatableBondCount
1
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CatalogNumber: AH13223
ChemicalName: Isoquinoline-4-boronic acid, pinacol ester
CasNumber: 685103-98-4
MolecularFormula: C15H18BNO2
MolecularWeight: 255.1199
MdlNumber: MFCD05663891
Smiles: CC1(C)OB(OC1(C)C)c1cncc2c1cccc2
Complexity: 329
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
CatalogNumber:
AH13223
ChemicalName:
Isoquinoline-4-boronic acid, pinacol ester
CasNumber:
685103-98-4
MolecularFormula:
C15H18BNO2
MolecularWeight:
255.1199
MdlNumber:
MFCD05663891
Smiles:
CC1(C)OB(OC1(C)C)c1cncc2c1cccc2
Complexity:
329
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
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Smiles: OC(=O)C1NCCc2c1[nH]c1c2cccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
OC(=O)C1NCCc2c1[nH]c1c2cccc1
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: OC(=O)c1ccc(o1)COc1cccc(c1)C(F)(F)F
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Smiles:
OC(=O)c1ccc(o1)COc1cccc(c1)C(F)(F)F
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: Clc1ccc(cc1)OCc1ccc(o1)C(=O)O
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MolecularFormula:
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Smiles:
Clc1ccc(cc1)OCc1ccc(o1)C(=O)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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