5-fluoro-2-propoxyphenylboronic acid

5-fluoro-2-propoxyphenylboronic acid

CAS: 480438-73-1

Formula: C9H12BFO3

SMILES: CCCOC1=CC=C(F)C=C1B(O)O

IUPAC: (5-fluoro-2-propoxyphenyl)boronic acid

InChI: InChI=1S/C9H12BFO3/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h3-4,6,12-13H,2,5H2,1H3

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	TVQRNJJJJCUOLL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.56
Topological Polar Surface Area	49.69
Polarizability	19.43
Ring Count	1
Rotatable Bond Count	4

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