AI51604
517920-57-9 | 3-Cyanobenzylboronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI51604
ChemicalName
3-Cyanobenzylboronic acid pinacol ester
CasNumber
517920-57-9
MolecularFormula
C14H18BNO2
MolecularWeight
243.1092
MdlNumber
MFCD22577285
Smiles
N#Cc1cccc(c1)CB1OC(C(O1)(C)C)(C)C
Complexity
342
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
2
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CatalogNumber: AI51604
ChemicalName: 3-Cyanobenzylboronic acid pinacol ester
CasNumber: 517920-57-9
MolecularFormula: C14H18BNO2
MolecularWeight: 243.1092
MdlNumber: MFCD22577285
Smiles: N#Cc1cccc(c1)CB1OC(C(O1)(C)C)(C)C
Complexity: 342
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
CatalogNumber:
AI51604
ChemicalName:
3-Cyanobenzylboronic acid pinacol ester
CasNumber:
517920-57-9
MolecularFormula:
C14H18BNO2
MolecularWeight:
243.1092
MdlNumber:
MFCD22577285
Smiles:
N#Cc1cccc(c1)CB1OC(C(O1)(C)C)(C)C
Complexity:
342
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1cc(N)c(c(c1)F)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Ic1cc(N)c(c(c1)F)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O=C1c2ccccc2N(C2N1CCc1c2[nH]c2c1cccc2)C
Complexity: 495
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C1c2ccccc2N(C2N1CCc1c2[nH]c2c1cccc2)C
Complexity:
495
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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CatalogNumber: AI51607
ChemicalName: Fluorescein sodium salt
CasNumber: 518-47-8
MolecularFormula: C20H10Na2O5
MolecularWeight: 376.2699400000001
MdlNumber: MFCD00167039
Smiles: [O-]c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)[O-].[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
AI51607
ChemicalName:
Fluorescein sodium salt
CasNumber:
518-47-8
MolecularFormula:
C20H10Na2O5
MolecularWeight:
376.2699400000001
MdlNumber:
MFCD00167039
Smiles:
[O-]c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)[O-].[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__