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2-isopropoxy-5-(trifluoromethyl)pyridin-3-ylboronic acid

2-isopropoxy-5-(trifluoromethyl)pyridin-3-ylboronic acid

CAS: 1218790-67-0

Formula: C9H11BF3NO3

SMILES: CC(C)OC1=C(C=C(C=N1)C(F)(F)F)B(O)O

IUPAC: [2-(propan-2-yloxy)-5-(trifluoromethyl)pyridin-3-yl]boronic acid

InChI: InChI=1S/C9H11BF3NO3/c1-5(2)17-8-7(10(15)16)3-6(4-14-8)9(11,12)13/h3-5,15-16H,1-2H3

Composition: C (43.41%), H (4.45%), B (4.34%), F (22.89%), N (5.63%), O (19.28%)

Molar Mass: 249

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 249.078408
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey AJWYDUFNUDIURV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.36
Topological Polar Surface Area 62.58
Polarizability 20.15
Ring Count 1
Rotatable Bond Count 4

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