AX55251
2096341-50-1 | 3,3-Dimethyl-2,4-dihydro-1,5-benzodioxepine-6-boronic acid
Manufacturer: A2B Chem
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CatalogNumber
AX55251
ChemicalName
3,3-Dimethyl-2,4-dihydro-1,5-benzodioxepine-6-boronic acid
CasNumber
2096341-50-1
MolecularFormula
C11H15BO4
MolecularWeight
222.0454
MdlNumber
MFCD20441816
Smiles
OB(c1cccc2c1OCC(CO2)(C)C)O
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
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CatalogNumber: AX55251
ChemicalName: 3,3-Dimethyl-2,4-dihydro-1,5-benzodioxepine-6-boronic acid
CasNumber: 2096341-50-1
MolecularFormula: C11H15BO4
MolecularWeight: 222.0454
MdlNumber: MFCD20441816
Smiles: OB(c1cccc2c1OCC(CO2)(C)C)O
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AX55251
ChemicalName:
3,3-Dimethyl-2,4-dihydro-1,5-benzodioxepine-6-boronic acid
CasNumber:
2096341-50-1
MolecularFormula:
C11H15BO4
MolecularWeight:
222.0454
MdlNumber:
MFCD20441816
Smiles:
OB(c1cccc2c1OCC(CO2)(C)C)O
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(cc(c1F)B1OC(C(O1)(C)C)(C)C)C(=O)O
Complexity: 383
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(cc(c1F)B1OC(C(O1)(C)C)(C)C)C(=O)O
Complexity:
383
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cccc(c1CN1CCOCC1)B1OC(C(O1)(C)C)(C)C
Complexity: 399
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cccc(c1CN1CCOCC1)B1OC(C(O1)(C)C)(C)C
Complexity:
399
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AX55254
ChemicalName: 2,3-(Dimethoxycarbonyl)pyridine-5-boronic acid, pinacol ester
CasNumber: 2096334-48-2
MolecularFormula: C15H20BNO6
MolecularWeight: 321.1334
MdlNumber: MFCD18087730
Smiles: COC(=O)c1cc(cnc1C(=O)OC)B1OC(C(O1)(C)C)(C)C
Complexity: 465
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: __
RotatableBondCount: 5
CatalogNumber:
AX55254
ChemicalName:
2,3-(Dimethoxycarbonyl)pyridine-5-boronic acid, pinacol ester
CasNumber:
2096334-48-2
MolecularFormula:
C15H20BNO6
MolecularWeight:
321.1334
MdlNumber:
MFCD18087730
Smiles:
COC(=O)c1cc(cnc1C(=O)OC)B1OC(C(O1)(C)C)(C)C
Complexity:
465
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
__
RotatableBondCount:
5