AI03453
957062-66-7 | 3-Hydroxy-5-(trifluoromethyl)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AI03453
ChemicalName
3-Hydroxy-5-(trifluoromethyl)phenylboronic acid
CasNumber
957062-66-7
MolecularFormula
C7H6BF3O3
MolecularWeight
205.9269
MdlNumber
MFCD09878337
Smiles
Oc1cc(cc(c1)C(F)(F)F)B(O)O
Complexity
197
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
1
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CatalogNumber: AI03453
ChemicalName: 3-Hydroxy-5-(trifluoromethyl)phenylboronic acid
CasNumber: 957062-66-7
MolecularFormula: C7H6BF3O3
MolecularWeight: 205.9269
MdlNumber: MFCD09878337
Smiles: Oc1cc(cc(c1)C(F)(F)F)B(O)O
Complexity: 197
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 1
CatalogNumber:
AI03453
ChemicalName:
3-Hydroxy-5-(trifluoromethyl)phenylboronic acid
CasNumber:
957062-66-7
MolecularFormula:
C7H6BF3O3
MolecularWeight:
205.9269
MdlNumber:
MFCD09878337
Smiles:
Oc1cc(cc(c1)C(F)(F)F)B(O)O
Complexity:
197
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
1
CatalogNumber: AI03454
ChemicalName: 5-Chloro-2-(methoxycarbonyl)phenylboronic acid
CasNumber: 957062-64-5
MolecularFormula: C8H8BClO4
MolecularWeight: 214.4107
MdlNumber: MFCD09878336
Smiles: COC(=O)c1ccc(cc1B(O)O)Cl
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AI03454
ChemicalName:
5-Chloro-2-(methoxycarbonyl)phenylboronic acid
CasNumber:
957062-64-5
MolecularFormula:
C8H8BClO4
MolecularWeight:
214.4107
MdlNumber:
MFCD09878336
Smiles:
COC(=O)c1ccc(cc1B(O)O)Cl
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: AI03455
ChemicalName: 4-(4-Fluoro-2-nitrophenoxy)phenylboronic acid
CasNumber: 957062-59-8
MolecularFormula: C12H9BFNO5
MolecularWeight: 277.013
MdlNumber: MFCD09800895
Smiles: Fc1ccc(c(c1)[N+](=O)[O-])Oc1ccc(cc1)B(O)O
Complexity: 332
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AI03455
ChemicalName:
4-(4-Fluoro-2-nitrophenoxy)phenylboronic acid
CasNumber:
957062-59-8
MolecularFormula:
C12H9BFNO5
MolecularWeight:
277.013
MdlNumber:
MFCD09800895
Smiles:
Fc1ccc(c(c1)[N+](=O)[O-])Oc1ccc(cc1)B(O)O
Complexity:
332
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: AI03457
ChemicalName: 4-Bromo-1-(4-fluorophenyl)-1H-pyrazole
CasNumber: 957062-56-5
MolecularFormula: C9H6BrFN2
MolecularWeight: 241.0597
MdlNumber: MFCD09801028
Smiles: Fc1ccc(cc1)n1ncc(c1)Br
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
CatalogNumber:
AI03457
ChemicalName:
4-Bromo-1-(4-fluorophenyl)-1H-pyrazole
CasNumber:
957062-56-5
MolecularFormula:
C9H6BrFN2
MolecularWeight:
241.0597
MdlNumber:
MFCD09801028
Smiles:
Fc1ccc(cc1)n1ncc(c1)Br
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1