B(C1=CC2=CC=CC=C2N=C1)(O)O
CAS: 191162-39-7
Nom: quinolin-3-ylboronic acid
SMILES: B(C1=CC2=CC=CC=C2N=C1)(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: YGDICLRMNDWZAK-UHFFFAOYSA-N
Synonymes
Quinoline-3-boronic AcidRefChem:872031640-162-53-quinolineboronic acid191162-39-7Quinolin-3-ylboronic Acid3-quinolinylboronic acid3-quinolylboronic acid(quinolin-3-yl)boronic acidBoronic acid, B-3-quinolinyl-MFCD02183527Boronic acid, 3-quinolinyl-3-Quinoline boronic acid3-QuinolineboronicAcidquinolin-3-boronic acidquinolin-3-yl-boronic acidquinoline-3-yl boronic acidSCHEMBL20226orb3022683CHEMBL3236629SCHEMBL29956205YGDICLRMNDWZAK-UHFFFAOYSA-DTXSID60370433TPL0355SBB052591AKOS003237476CS-W002923GS-6504PB21802SB20064
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Recherche Etendue

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