B(C1=CC(=C(C=C1)C(=O)O)F)(O)O
CAS: 120153-08-4
Nom: 4-borono-2-fluorobenzoic acid
SMILES: B(C1=CC(=C(C=C1)C(=O)O)F)(O)O

Molecular Processing

Molecular formula
C7H6BFO4
Molecular weight
183.93
Exact mass
184.0343
XLogP
-0.8
TPSA
77.76
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
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
Molar refractivity
43.18

Supplementary Information

InChIKey: CZDWJVSOQOMYGC-UHFFFAOYSA-N
Synonymes
4-Carboxy-3-fluorophenylboronic acidDTXSID90376807RefChem:98269DTXCID50327835120153-08-44-borono-2-fluorobenzoic acidBENZOIC ACID, 4-BORONO-2-FLUORO-4-carboxy-3-fluorobenzeneboronic acid4-(dihydroxyboranyl)-2-fluorobenzoic acidMFCD01114671MT2PH75ZYW4-(Dihydroxyboryl)-2-fluorobenzoic acid(4-carboxy-3-fluorophenyl)boronic acidUNII-MT2PH75ZYW4-borono-2-fluorobenzoicacidSCHEMBL362047SCHEMBL29689051SBB0901063-Fluoro-4-carboxy-phenylboronic acidAKOS004119213AB08322CS-W000863PS-9412SY018035DB-028787EN300-322647F033088Z1171974293
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→