B(C1=C(C=C(C=C1)Cl)F)(O)O
CAS: 160591-91-3
Nombre: (4-chloro-2-fluorophenyl)boronic acid
SMILES: B(C1=C(C=C(C=C1)Cl)F)(O)O

Molecular Processing

Molecular formula
C6H5BClFO2
Molecular weight
174.37
Exact mass
174.0055
XLogP
0.16
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
41.24

Supplementary Information

InChIKey: YBNDRTRLXPEWKQ-UHFFFAOYSA-N
Sinónimos
(4-chloro-2-fluorophenyl)boronic acidRefChem:402595640-199-7160591-91-34-Chloro-2-fluorophenylboronic acid4-Chloro-2-fluorobenzeneboronic acidMFCD02684293BORONIC ACID, B-(4-CHLORO-2-FLUOROPHENYL)-4-chloro-2-fluorophenylboronic acid (contains varying amounts of anhydride)(4-chloro-2-fluoro-phenyl)boronic AcidBoronic acid, (4-chloro-2-fluorophenyl)-2-fluoro-4-chlorophenylboronic acid4-Chloro-2-fluorobenzeneboronicacid4-Chloro-2-Fluorophenyl-Boronic AcidB-(4-CHLORO-2-FLUOROPHENYL)-BORONIC ACIDSCHEMBL385501orb2940213SCHEMBL29643703DTXSID40400646YBNDRTRLXPEWKQ-UHFFFAOYSA-N(4-chloro-2-fluorophenyl)boranediol2-Fluoro-4-chlorobenzenboronic acidSBB071071TYD-003654-chloro-2-fluoro-phenylboronic acid4-chloro-2-fluorophenyl boronic acid4-chloro-2-fluorobenzene boronic acidAKOS004113742AB12601CS-W002971
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