3-(3-fluoropropoxy)-4-methylphenylboronic acid

3-(3-fluoropropoxy)-4-methylphenylboronic acid

CAS: 1704074-02-1

Formula: C10H14BFO3

SMILES: CC1=C(OCCCF)C=C(C=C1)B(O)O

IUPAC: [3-(3-fluoropropoxy)-4-methylphenyl]boronic acid

InChI: InChI=1S/C10H14BFO3/c1-8-3-4-9(11(13)14)7-10(8)15-6-2-5-12/h3-4,7,13-14H,2,5-6H2,1H3

Composition: C (56.65%), H (6.66%), B (5.10%), F (8.96%), O (22.64%)

Molar Mass: 212.03

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.102002
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	DKNBXEFDFLTCEF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.57
Topological Polar Surface Area	49.69
Polarizability	21.22
Ring Count	1
Rotatable Bond Count	5

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