AB12299
190788-59-1 | 2-Nitrophenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AB12299
ChemicalName
2-Nitrophenylboronic acid, pinacol ester
CasNumber
190788-59-1
MolecularFormula
C12H16BNO4
MolecularWeight
249.07074
MdlNumber
MFCD02179447
Smiles
[O-][N+](=O)c1ccccc1B1OC(C(O1)(C)C)(C)C
Complexity
324
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
1
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CatalogNumber: AB12299
ChemicalName: 2-Nitrophenylboronic acid, pinacol ester
CasNumber: 190788-59-1
MolecularFormula: C12H16BNO4
MolecularWeight: 249.07074
MdlNumber: MFCD02179447
Smiles: [O-][N+](=O)c1ccccc1B1OC(C(O1)(C)C)(C)C
Complexity: 324
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
CatalogNumber:
AB12299
ChemicalName:
2-Nitrophenylboronic acid, pinacol ester
CasNumber:
190788-59-1
MolecularFormula:
C12H16BNO4
MolecularWeight:
249.07074
MdlNumber:
MFCD02179447
Smiles:
[O-][N+](=O)c1ccccc1B1OC(C(O1)(C)C)(C)C
Complexity:
324
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity: 257
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity:
257
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: AB12301
ChemicalName: Bepotastine besilate
CasNumber: 190786-44-8
MolecularFormula: C27H31ClN2O6S
MolecularWeight: 547.0628
MdlNumber: MFCD01938491
Smiles: OS(=O)(=O)c1ccccc1.OC(=O)CCCN1CCC(CC1)O[C@H](c1ccccn1)c1ccc(cc1)Cl
Complexity: 632
Covalently-bondedUnitCount: 2
HeavyAtomCount: 37
HydrogenBondAcceptorCount: 8
RotatableBondCount: 9
CatalogNumber:
AB12301
ChemicalName:
Bepotastine besilate
CasNumber:
190786-44-8
MolecularFormula:
C27H31ClN2O6S
MolecularWeight:
547.0628
MdlNumber:
MFCD01938491
Smiles:
OS(=O)(=O)c1ccccc1.OC(=O)CCCN1CCC(CC1)O[C@H](c1ccccn1)c1ccc(cc1)Cl
Complexity:
632
Covalently-bondedUnitCount:
2
HeavyAtomCount:
37
HydrogenBondAcceptorCount:
8
RotatableBondCount:
9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(C=O)ccc1C#C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(C=O)ccc1C#C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__