6-bromo-3-ethoxy-2-fluorophenylboronic acid

6-bromo-3-ethoxy-2-fluorophenylboronic acid

CAS: 871126-14-6

Formula: C8H9BBrFO3

SMILES: CCOC1=CC=C(Br)C(B(O)O)=C1F

IUPAC: (6-bromo-3-ethoxy-2-fluorophenyl)boronic acid

InChI: InChI=1S/C8H9BBrFO3/c1-2-14-6-4-3-5(10)7(8(6)11)9(12)13/h3-4,12-13H,2H2,1H3

Composition: C (36.55%), H (3.45%), B (4.11%), Br (30.40%), F (7.23%), O (18.26%)

Molar Mass: 262.87

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	261.981215
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	GCNQUSXPZGIAQM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.65
Topological Polar Surface Area	49.69
Polarizability	20.6
Ring Count	1
Rotatable Bond Count	3

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