AA54501
1218789-50-4 | 3-Bromo-5-hydroxyphenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AA54501
ChemicalName
3-Bromo-5-hydroxyphenylboronic acid
CasNumber
1218789-50-4
MolecularFormula
C12H16BBrO3
MolecularWeight
298.9686
MdlNumber
MFCD12546589
Smiles
Oc1cc(Br)cc(c1)B1OC(C(O1)(C)C)(C)C
Complexity
280
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
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CatalogNumber: AA54501
ChemicalName: 3-Bromo-5-hydroxyphenylboronic acid
CasNumber: 1218789-50-4
MolecularFormula: C12H16BBrO3
MolecularWeight: 298.9686
MdlNumber: MFCD12546589
Smiles: Oc1cc(Br)cc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AA54501
ChemicalName:
3-Bromo-5-hydroxyphenylboronic acid
CasNumber:
1218789-50-4
MolecularFormula:
C12H16BBrO3
MolecularWeight:
298.9686
MdlNumber:
MFCD12546589
Smiles:
Oc1cc(Br)cc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc(OCC2CC2)cc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 368
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc(OCC2CC2)cc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
368
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(COc1cc(Br)cc(c1)B1OC(C(O1)(C)C)(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(COc1cc(Br)cc(c1)B1OC(C(O1)(C)C)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AA54504
ChemicalName: 3-Chloro-5-(ethoxycarbonymethoxy)phenylboronic acid, pinacol ester
CasNumber: 1218789-47-9
MolecularFormula: C16H22BClO5
MolecularWeight: 340.6069
MdlNumber: MFCD12546584
Smiles: CCOC(=O)COc1cc(Cl)cc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 413
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 6
CatalogNumber:
AA54504
ChemicalName:
3-Chloro-5-(ethoxycarbonymethoxy)phenylboronic acid, pinacol ester
CasNumber:
1218789-47-9
MolecularFormula:
C16H22BClO5
MolecularWeight:
340.6069
MdlNumber:
MFCD12546584
Smiles:
CCOC(=O)COc1cc(Cl)cc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
413
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
6