4-butoxyphenylboronic acid

4-butoxyphenylboronic acid

CAS: 105365-51-3

Formula: C10H15BO3

SMILES: CCCCOC1=CC=C(C=C1)B(O)O

IUPAC: (4-butoxyphenyl)boronic acid

InChI: InChI=1S/C10H15BO3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7,12-13H,2-3,8H2,1H3

Composition: C (61.90%), H (7.79%), B (5.57%), O (24.74%)

Molar Mass: 194.04

Atom Count: 29

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	194.111424
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QUPFQMXWFNJUNJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.94
Topological Polar Surface Area	49.69
Polarizability	21.57
Ring Count	1
Rotatable Bond Count	5

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