AA58541
138500-86-4 | 4-Cyanomethylphenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AA58541
ChemicalName
4-Cyanomethylphenylboronic acid, pinacol ester
CasNumber
138500-86-4
MolecularFormula
C14H18BNO2
MolecularWeight
243.10922000000002
MdlNumber
MFCD02179459
Smiles
N#CCc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity
334
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
2
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CatalogNumber: AA58541
ChemicalName: 4-Cyanomethylphenylboronic acid, pinacol ester
CasNumber: 138500-86-4
MolecularFormula: C14H18BNO2
MolecularWeight: 243.10922000000002
MdlNumber: MFCD02179459
Smiles: N#CCc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity: 334
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
CatalogNumber:
AA58541
ChemicalName:
4-Cyanomethylphenylboronic acid, pinacol ester
CasNumber:
138500-86-4
MolecularFormula:
C14H18BNO2
MolecularWeight:
243.10922000000002
MdlNumber:
MFCD02179459
Smiles:
N#CCc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity:
334
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
CatalogNumber: AA58542
ChemicalName: 4-Bromomethylphenylboronic acid, pinacol ester
CasNumber: 138500-85-3
MolecularFormula: C13H18BBrO2
MolecularWeight: 296.9958
MdlNumber: MFCD02179493
Smiles: BrCc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
CatalogNumber:
AA58542
ChemicalName:
4-Bromomethylphenylboronic acid, pinacol ester
CasNumber:
138500-85-3
MolecularFormula:
C13H18BBrO2
MolecularWeight:
296.9958
MdlNumber:
MFCD02179493
Smiles:
BrCc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
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Smiles: COc1ccc(cc1OC1CCCC1)Br
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Smiles:
COc1ccc(cc1OC1CCCC1)Br
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HydrogenBondAcceptorCount:
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Smiles: COc1cc(ccc1OC)C1=CC(=O)CC1
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MolecularFormula:
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Smiles:
COc1cc(ccc1OC)C1=CC(=O)CC1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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