B(C1=C(C=CC(=C1Cl)OCC)F)(O)O
CAS: 957120-93-3
Nombre: (2-chloro-3-ethoxy-6-fluorophenyl)boronic acid
SMILES: B(C1=C(C=CC(=C1Cl)OCC)F)(O)O

Molecular Processing

Molecular formula
C8H9BClFO3
Molecular weight
218.42
Exact mass
218.0317
XLogP
0.56
TPSA
49.69
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
52.4

Supplementary Information

InChIKey: OYOREJXDXHCMPQ-UHFFFAOYSA-N
Sinónimos
2-CHLORO-3-ETHOXY-6-FLUOROPHENYLBORONIC ACID957120-93-3(2-chloro-3-ethoxy-6-fluorophenyl)boronic acid2-chloro-3-ethoxy-6-fluorobenzeneboronic acidMFCD098008802-Chloro-3-ethoxy-6-fluorophenylboronicacid(2-chloro-3-ethoxy-6-fluoro-phenyl)boronic acidSCHEMBL16668301SCHEMBL29954273DTXSID10659366OYOREJXDXHCMPQ-UHFFFAOYSA-NSBB071193AKOS015849994DS-2405SY023586DB-010367CS-0038631W16737F225340
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