AX55393
2096336-22-8 | 6-Ethoxy-2-fluoro-3-(trifluoromethyl)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AX55393
ChemicalName
6-Ethoxy-2-fluoro-3-(trifluoromethyl)phenylboronic acid
CasNumber
2096336-22-8
MolecularFormula
C9H9BF4O3
MolecularWeight
251.9706
MdlNumber
MFCD19981517
Smiles
CCOc1ccc(c(c1B(O)O)F)C(F)(F)F
Complexity
249
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AX55393
ChemicalName: 6-Ethoxy-2-fluoro-3-(trifluoromethyl)phenylboronic acid
CasNumber: 2096336-22-8
MolecularFormula: C9H9BF4O3
MolecularWeight: 251.9706
MdlNumber: MFCD19981517
Smiles: CCOc1ccc(c(c1B(O)O)F)C(F)(F)F
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AX55393
ChemicalName:
6-Ethoxy-2-fluoro-3-(trifluoromethyl)phenylboronic acid
CasNumber:
2096336-22-8
MolecularFormula:
C9H9BF4O3
MolecularWeight:
251.9706
MdlNumber:
MFCD19981517
Smiles:
CCOc1ccc(c(c1B(O)O)F)C(F)(F)F
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: AX55394
ChemicalName: E-3-(2-Ethoxycarbonylvinyl)-2-fluorophenylboronic acid
CasNumber: 2096353-43-2
MolecularFormula: C11H12BFO4
MolecularWeight: 238.02
MdlNumber: MFCD18311834
Smiles: CCOC(=O)/C=C/c1cccc(c1F)B(O)O
Complexity: 283
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
CatalogNumber:
AX55394
ChemicalName:
E-3-(2-Ethoxycarbonylvinyl)-2-fluorophenylboronic acid
CasNumber:
2096353-43-2
MolecularFormula:
C11H12BFO4
MolecularWeight:
238.02
MdlNumber:
MFCD18311834
Smiles:
CCOC(=O)/C=C/c1cccc(c1F)B(O)O
Complexity:
283
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1c(C)cnn1C)O
Complexity: 122
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1c(C)cnn1C)O
Complexity:
122
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AX55396
ChemicalName: 3-Chloro-2-(N-ethylaminomethyl)phenylboronic acid, pinacol ester
CasNumber: 2096333-72-9
MolecularFormula: C15H23BClNO2
MolecularWeight: 295.6126
MdlNumber: MFCD20441919
Smiles: CCNCc1c(Cl)cccc1B1OC(C(O1)(C)C)(C)C
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
CatalogNumber:
AX55396
ChemicalName:
3-Chloro-2-(N-ethylaminomethyl)phenylboronic acid, pinacol ester
CasNumber:
2096333-72-9
MolecularFormula:
C15H23BClNO2
MolecularWeight:
295.6126
MdlNumber:
MFCD20441919
Smiles:
CCNCc1c(Cl)cccc1B1OC(C(O1)(C)C)(C)C
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4