4-butoxy-3-fluorophenylboronic acid

4-butoxy-3-fluorophenylboronic acid

CAS: 156487-13-7

Formula: C10H14BFO3

SMILES: CCCCOC1=CC=C(C=C1F)B(O)O

IUPAC: (4-butoxy-3-fluorophenyl)boronic acid

InChI: InChI=1S/C10H14BFO3/c1-2-3-6-15-10-5-4-8(11(13)14)7-9(10)12/h4-5,7,13-14H,2-3,6H2,1H3

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	JVHCUZXLXOUYHX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.16
Topological Polar Surface Area	49.69
Polarizability	21.26
Ring Count	1
Rotatable Bond Count	5

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