B(C1=CN=CC2=CC=CC=C12)(O)O
CAS: 192182-56-2
Name: isoquinolin-4-ylboronic acid
SMILES: B(C1=CN=CC2=CC=CC=C12)(O)O

Molecular Processing

Molecular formula
C9H8BNO2
Molecular weight
172.98
Exact mass
173.0648
XLogP
-0.09
TPSA
53.35
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
51.57

Supplementary Information

InChIKey: GDTOUTKTCGPAGY-UHFFFAOYSA-N
Synonyme
Isoquinoline-4-boronic acid192182-56-2DTXSID60396057RefChem:350071DTXCID60346916625-513-2695-018-44-Isoquinolineboronic acidIsoquinolin-4-ylboronic Acid(isoquinolin-4-yl)boronic acidBoronic acid, B-4-isoquinolinyl-MFCD034120934-ISOQUINOLINYLBORONIC ACIDBoronic acid, 4-isoquinolinyl-Isoquinoline-4-boronicacid4-Isoquinolineboronicacid4-Isoquinolinylboroni acid4-isoquinoline boronic acidSCHEMBL112184SCHEMBL29694473STR07312SBB052592AKOS004116394AB14365CS-W017566ISOQUINOLIN-4-YL-4-BORONIC ACIDSY004001DB-029931EN300-212503F065607
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