AX55585
2096331-25-6 | 5-(Benzyloxy)-2-fluoro-3-(trifluoromethyl)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AX55585
ChemicalName
5-(Benzyloxy)-2-fluoro-3-(trifluoromethyl)phenylboronic acid
CasNumber
2096331-25-6
MolecularFormula
C14H11BF4O3
MolecularWeight
314.04
MdlNumber
MFCD19981510
Smiles
OB(c1cc(OCc2ccccc2)cc(c1F)C(F)(F)F)O
Complexity
348
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
4
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CatalogNumber: AX55585
ChemicalName: 5-(Benzyloxy)-2-fluoro-3-(trifluoromethyl)phenylboronic acid
CasNumber: 2096331-25-6
MolecularFormula: C14H11BF4O3
MolecularWeight: 314.04
MdlNumber: MFCD19981510
Smiles: OB(c1cc(OCc2ccccc2)cc(c1F)C(F)(F)F)O
Complexity: 348
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AX55585
ChemicalName:
5-(Benzyloxy)-2-fluoro-3-(trifluoromethyl)phenylboronic acid
CasNumber:
2096331-25-6
MolecularFormula:
C14H11BF4O3
MolecularWeight:
314.04
MdlNumber:
MFCD19981510
Smiles:
OB(c1cc(OCc2ccccc2)cc(c1F)C(F)(F)F)O
Complexity:
348
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: AX55586
ChemicalName: [3-(Benzyloxy)-2,4-difluoro-5-methylphenyl]boronic acid
CasNumber: 2096331-91-6
MolecularFormula: C14H13BF2O3
MolecularWeight: 278.059
MdlNumber: MFCD20231453
Smiles: Cc1cc(B(O)O)c(c(c1F)OCc1ccccc1)F
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AX55586
ChemicalName:
[3-(Benzyloxy)-2,4-difluoro-5-methylphenyl]boronic acid
CasNumber:
2096331-91-6
MolecularFormula:
C14H13BF2O3
MolecularWeight:
278.059
MdlNumber:
MFCD20231453
Smiles:
Cc1cc(B(O)O)c(c(c1F)OCc1ccccc1)F
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1cc(OCc2ccccc2)ncc1F)O
Complexity: 252
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1cc(OCc2ccccc2)ncc1F)O
Complexity:
252
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AX55588
ChemicalName: [3-(Benzyloxy)-5-chloro-4-fluorophenyl]boronic acid
CasNumber: 2096340-14-4
MolecularFormula: C13H11BClFO3
MolecularWeight: 280.487
MdlNumber: MFCD20491426
Smiles: Clc1cc(cc(c1F)OCc1ccccc1)B(O)O
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AX55588
ChemicalName:
[3-(Benzyloxy)-5-chloro-4-fluorophenyl]boronic acid
CasNumber:
2096340-14-4
MolecularFormula:
C13H11BClFO3
MolecularWeight:
280.487
MdlNumber:
MFCD20491426
Smiles:
Clc1cc(cc(c1F)OCc1ccccc1)B(O)O
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4