AI59792
890839-10-8 | 4-(1,1-Dimethyl-1-methoxycarbonyl)methylphenylboronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI59792
ChemicalName
4-(1,1-Dimethyl-1-methoxycarbonyl)methylphenylboronic acid pinacol ester
CasNumber
890839-10-8
MolecularFormula
C17H25BO4
MolecularWeight
304.189
MdlNumber
MFCD18761362
Smiles
COC(=O)C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(C)C
Complexity
406
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
4
RotatableBondCount
4
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CatalogNumber: AI59792
ChemicalName: 4-(1,1-Dimethyl-1-methoxycarbonyl)methylphenylboronic acid pinacol ester
CasNumber: 890839-10-8
MolecularFormula: C17H25BO4
MolecularWeight: 304.189
MdlNumber: MFCD18761362
Smiles: COC(=O)C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(C)C
Complexity: 406
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
CatalogNumber:
AI59792
ChemicalName:
4-(1,1-Dimethyl-1-methoxycarbonyl)methylphenylboronic acid pinacol ester
CasNumber:
890839-10-8
MolecularFormula:
C17H25BO4
MolecularWeight:
304.189
MdlNumber:
MFCD18761362
Smiles:
COC(=O)C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(C)C
Complexity:
406
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
CatalogNumber: __
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Smiles: CCOC(=O)c1cnc2c(c1Cl)ccc(c2)OC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
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RotatableBondCount: __
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Smiles:
CCOC(=O)c1cnc2c(c1Cl)ccc(c2)OC(F)(F)F
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1ncc(c2)c1ccccc1)B(O)O
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Smiles:
Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1ncc(c2)c1ccccc1)B(O)O
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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Smiles: BrC1=CC=C(S1(=O)=O)Br
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CatalogNumber:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
BrC1=CC=C(S1(=O)=O)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__