AA45131
1292317-54-4 | 2-((Tetrahydro-2H-pyran-4-yl)oxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA45131
ChemicalName
2-((Tetrahydro-2H-pyran-4-yl)oxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CasNumber
1292317-54-4
MolecularFormula
C18H24BNO4
MolecularWeight
329.1985
MdlNumber
MFCD22393670
Smiles
N#Cc1cc(ccc1OC1CCOCC1)B1OC(C(O1)(C)C)(C)C
Complexity
479
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
5
RotatableBondCount
3
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CatalogNumber: AA45131
ChemicalName: 2-((Tetrahydro-2H-pyran-4-yl)oxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CasNumber: 1292317-54-4
MolecularFormula: C18H24BNO4
MolecularWeight: 329.1985
MdlNumber: MFCD22393670
Smiles: N#Cc1cc(ccc1OC1CCOCC1)B1OC(C(O1)(C)C)(C)C
Complexity: 479
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
CatalogNumber:
AA45131
ChemicalName:
2-((Tetrahydro-2H-pyran-4-yl)oxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CasNumber:
1292317-54-4
MolecularFormula:
C18H24BNO4
MolecularWeight:
329.1985
MdlNumber:
MFCD22393670
Smiles:
N#Cc1cc(ccc1OC1CCOCC1)B1OC(C(O1)(C)C)(C)C
Complexity:
479
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
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Smiles: N#Cc1cc(ccc1N)c1ccnc(n1)Cl
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N#Cc1cc(ccc1N)c1ccnc(n1)Cl
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Smiles: CCOC(=O)C[C@@H](c1ccc(cc1)O)C#CC
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CCOC(=O)C[C@@H](c1ccc(cc1)O)C#CC
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HydrogenBondAcceptorCount:
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Smiles: NC[C@H]1CNC(=O)C1
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CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
NC[C@H]1CNC(=O)C1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__