AX55353
2096334-15-3 | 3-[(4-Fluorophenyl)(hydroxy)methyl]phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AX55353
ChemicalName
3-[(4-Fluorophenyl)(hydroxy)methyl]phenylboronic acid
CasNumber
2096334-15-3
MolecularFormula
C13H12BFO3
MolecularWeight
246.042
MdlNumber
MFCD22192457
Smiles
Fc1ccc(cc1)C(c1cccc(c1)B(O)O)O
Complexity
257
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
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CatalogNumber: AX55353
ChemicalName: 3-[(4-Fluorophenyl)(hydroxy)methyl]phenylboronic acid
CasNumber: 2096334-15-3
MolecularFormula: C13H12BFO3
MolecularWeight: 246.042
MdlNumber: MFCD22192457
Smiles: Fc1ccc(cc1)C(c1cccc(c1)B(O)O)O
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AX55353
ChemicalName:
3-[(4-Fluorophenyl)(hydroxy)methyl]phenylboronic acid
CasNumber:
2096334-15-3
MolecularFormula:
C13H12BFO3
MolecularWeight:
246.042
MdlNumber:
MFCD22192457
Smiles:
Fc1ccc(cc1)C(c1cccc(c1)B(O)O)O
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(Oc1cc(F)c(c(c1)B1OC(C(O1)(C)C)(C)C)F)C
Complexity: 360
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(Oc1cc(F)c(c(c1)B1OC(C(O1)(C)C)(C)C)F)C
Complexity:
360
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: AX55355
ChemicalName: 3-Fluoro-4-pentanoylphenylboronic acid
CasNumber: 2096333-01-4
MolecularFormula: C11H14BFO3
MolecularWeight: 224.0365
MdlNumber: MFCD19684102
Smiles: CCCCC(=O)c1ccc(cc1F)B(O)O
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
CatalogNumber:
AX55355
ChemicalName:
3-Fluoro-4-pentanoylphenylboronic acid
CasNumber:
2096333-01-4
MolecularFormula:
C11H14BFO3
MolecularWeight:
224.0365
MdlNumber:
MFCD19684102
Smiles:
CCCCC(=O)c1ccc(cc1F)B(O)O
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cccc(c1CNC1CCCCC1)B1OC(C(O1)(C)C)(C)C.Cl
Complexity: 410
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cccc(c1CNC1CCCCC1)B1OC(C(O1)(C)C)(C)C.Cl
Complexity:
410
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__