3-bromo-2-butoxy-5-fluorophenylboronic acid

3-bromo-2-butoxy-5-fluorophenylboronic acid

CAS: 352534-85-1

Formula: C10H13BBrFO3

SMILES: CCCCOC1=C(Br)C=C(F)C=C1B(O)O

IUPAC: (3-bromo-2-butoxy-5-fluorophenyl)boronic acid

InChI: InChI=1S/C10H13BBrFO3/c1-2-3-4-16-10-8(11(14)15)5-7(13)6-9(10)12/h5-6,14-15H,2-4H2,1H3

Composition: C (41.29%), H (4.50%), B (3.72%), Br (27.47%), F (6.53%), O (16.50%)

Molar Mass: 290.92

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	290.012515
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	DREJEOAXSCRYPA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.78
Topological Polar Surface Area	49.69
Polarizability	24.21
Ring Count	1
Rotatable Bond Count	5

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