AB75560
1073355-18-6 | 3-Acetoxy-4-methoxycarbonylphenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AB75560
ChemicalName
3-Acetoxy-4-methoxycarbonylphenylboronic acid, pinacol ester
CasNumber
1073355-18-6
MolecularFormula
C16H21BO6
MolecularWeight
320.1453
MdlNumber
MFCD09864187
Smiles
COC(=O)c1ccc(cc1OC(=O)C)B1OC(C(O1)(C)C)(C)C
Complexity
459
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
6
RotatableBondCount
5
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CatalogNumber: AB75560
ChemicalName: 3-Acetoxy-4-methoxycarbonylphenylboronic acid, pinacol ester
CasNumber: 1073355-18-6
MolecularFormula: C16H21BO6
MolecularWeight: 320.1453
MdlNumber: MFCD09864187
Smiles: COC(=O)c1ccc(cc1OC(=O)C)B1OC(C(O1)(C)C)(C)C
Complexity: 459
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
RotatableBondCount: 5
CatalogNumber:
AB75560
ChemicalName:
3-Acetoxy-4-methoxycarbonylphenylboronic acid, pinacol ester
CasNumber:
1073355-18-6
MolecularFormula:
C16H21BO6
MolecularWeight:
320.1453
MdlNumber:
MFCD09864187
Smiles:
COC(=O)c1ccc(cc1OC(=O)C)B1OC(C(O1)(C)C)(C)C
Complexity:
459
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
RotatableBondCount:
5
CatalogNumber: __
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Smiles: BrCCC(C(=O)OC)OC(=O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
BrCCC(C(=O)OC)OC(=O)C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COC(=O)c1cccc2c1nc([nH]2)N
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Smiles:
COC(=O)c1cccc2c1nc([nH]2)N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: __
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Smiles: COC(=O)C(c1ccccn1)N.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C(c1ccccn1)N.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__