AX55305
2096336-03-5 | 4-[(4-Fluorophenyl)(hydroxy)methyl]phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AX55305
ChemicalName
4-[(4-Fluorophenyl)(hydroxy)methyl]phenylboronic acid
CasNumber
2096336-03-5
MolecularFormula
C13H12BFO3
MolecularWeight
246.042
MdlNumber
MFCD22205751
Smiles
Fc1ccc(cc1)C(c1ccc(cc1)B(O)O)O
Complexity
249
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
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CatalogNumber: AX55305
ChemicalName: 4-[(4-Fluorophenyl)(hydroxy)methyl]phenylboronic acid
CasNumber: 2096336-03-5
MolecularFormula: C13H12BFO3
MolecularWeight: 246.042
MdlNumber: MFCD22205751
Smiles: Fc1ccc(cc1)C(c1ccc(cc1)B(O)O)O
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AX55305
ChemicalName:
4-[(4-Fluorophenyl)(hydroxy)methyl]phenylboronic acid
CasNumber:
2096336-03-5
MolecularFormula:
C13H12BFO3
MolecularWeight:
246.042
MdlNumber:
MFCD22205751
Smiles:
Fc1ccc(cc1)C(c1ccc(cc1)B(O)O)O
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
CatalogNumber: AX55306
ChemicalName: 4-(N-(Furan-2-ylmethyl)sulfamoyl)-2-trifluoromethylphenylboronic acid
CasNumber: 2096331-71-2
MolecularFormula: C12H11BF3NO5S
MolecularWeight: 349.0906
MdlNumber: MFCD18783145
Smiles: OB(c1ccc(cc1C(F)(F)F)S(=O)(=O)NCc1ccco1)O
Complexity: 496
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 3
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
CatalogNumber:
AX55306
ChemicalName:
4-(N-(Furan-2-ylmethyl)sulfamoyl)-2-trifluoromethylphenylboronic acid
CasNumber:
2096331-71-2
MolecularFormula:
C12H11BF3NO5S
MolecularWeight:
349.0906
MdlNumber:
MFCD18783145
Smiles:
OB(c1ccc(cc1C(F)(F)F)S(=O)(=O)NCc1ccco1)O
Complexity:
496
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
3
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
CatalogNumber: AX55307
ChemicalName: 2-Fluoro-6-methoxy-3-(trifluoromethyl)phenylboronic acid
CasNumber: 2096339-77-2
MolecularFormula: C8H7BF4O3
MolecularWeight: 237.944
MdlNumber: MFCD19981511
Smiles: COc1ccc(c(c1B(O)O)F)C(F)(F)F
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
CatalogNumber:
AX55307
ChemicalName:
2-Fluoro-6-methoxy-3-(trifluoromethyl)phenylboronic acid
CasNumber:
2096339-77-2
MolecularFormula:
C8H7BF4O3
MolecularWeight:
237.944
MdlNumber:
MFCD19981511
Smiles:
COc1ccc(c(c1B(O)O)F)C(F)(F)F
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
CatalogNumber: AX55308
ChemicalName: 3-Bromo-5-chloro-2-methoxyphenylboronic acid
CasNumber: 2096341-68-1
MolecularFormula: C7H7BBrClO3
MolecularWeight: 265.2967
MdlNumber: MFCD19237166
Smiles: COc1c(Br)cc(cc1B(O)O)Cl
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
CatalogNumber:
AX55308
ChemicalName:
3-Bromo-5-chloro-2-methoxyphenylboronic acid
CasNumber:
2096341-68-1
MolecularFormula:
C7H7BBrClO3
MolecularWeight:
265.2967
MdlNumber:
MFCD19237166
Smiles:
COc1c(Br)cc(cc1B(O)O)Cl
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__