AG18973
443776-76-9 | 3-Hydroxymethylphenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AG18973
ChemicalName
3-Hydroxymethylphenylboronic acid, pinacol ester
CasNumber
443776-76-9
MolecularFormula
C13H19BO3
MolecularWeight
234.0992
MdlNumber
MFCD09266196
Smiles
OCc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity
262
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
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CatalogNumber: AG18973
ChemicalName: 3-Hydroxymethylphenylboronic acid, pinacol ester
CasNumber: 443776-76-9
MolecularFormula: C13H19BO3
MolecularWeight: 234.0992
MdlNumber: MFCD09266196
Smiles: OCc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 262
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AG18973
ChemicalName:
3-Hydroxymethylphenylboronic acid, pinacol ester
CasNumber:
443776-76-9
MolecularFormula:
C13H19BO3
MolecularWeight:
234.0992
MdlNumber:
MFCD09266196
Smiles:
OCc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
262
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
CatalogNumber: AG18974
ChemicalName: 4-Chloro-3-trifluoromethylphenylboronic acid, pinacol ester
CasNumber: 445303-09-3
MolecularFormula: C13H15BClF3O2
MolecularWeight: 306.5162
MdlNumber: MFCD06657823
Smiles: Clc1ccc(cc1C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Complexity: 357
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 1
CatalogNumber:
AG18974
ChemicalName:
4-Chloro-3-trifluoromethylphenylboronic acid, pinacol ester
CasNumber:
445303-09-3
MolecularFormula:
C13H15BClF3O2
MolecularWeight:
306.5162
MdlNumber:
MFCD06657823
Smiles:
Clc1ccc(cc1C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Complexity:
357
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCOc1c(Br)cccc1B(O)O
Complexity: 180
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCOc1c(Br)cccc1B(O)O
Complexity:
180
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=CNc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=CNc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__