Text Search
Structure Search

3-fluoro-5-isopropoxyphenylboronic acid

3-fluoro-5-isopropoxyphenylboronic acid

CAS: 1195945-65-3

Formula: C9H12BFO3

SMILES: CC(C)OC1=CC(F)=CC(=C1)B(O)O

IUPAC: [3-fluoro-5-(propan-2-yloxy)phenyl]boronic acid

InChI: InChI=1S/C9H12BFO3/c1-6(2)14-9-4-7(10(12)13)3-8(11)5-9/h3-6,12-13H,1-2H3

Composition: C (54.60%), H (6.11%), B (5.46%), F (9.60%), O (24.24%)

Molar Mass: 198

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 198.086352
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey HJJYROZZJOJOOW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.45
Topological Polar Surface Area 49.69
Polarizability 19.43
Ring Count 1
Rotatable Bond Count 3

Suppliers

No suppliers are currently stocking this item.