3-butoxy-5-chlorophenylboronic acid

3-butoxy-5-chlorophenylboronic acid

CAS: 1256345-75-1

Formula: C10H14BClO3

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

IUPAC: (3-butoxy-5-chlorophenyl)boronic acid

InChI: InChI=1S/C10H14BClO3/c1-2-3-4-15-10-6-8(11(13)14)5-9(12)7-10/h5-7,13-14H,2-4H2,1H3

Composition: C (52.57%), H (6.18%), B (4.73%), Cl (15.52%), O (21.01%)

Molar Mass: 228.48

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.072452
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	SQCIQINFZZBGET-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.75
Topological Polar Surface Area	49.69
Polarizability	23.46
Ring Count	1
Rotatable Bond Count	5

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