2-bromo-6-ethoxyphenylboronic acid

2-bromo-6-ethoxyphenylboronic acid

CAS: 957035-13-1

Formula: C8H10BBrO3

SMILES: CCOC1=CC=CC(Br)=C1B(O)O

IUPAC: (2-bromo-6-ethoxyphenyl)boronic acid

InChI: InChI=1S/C8H10BBrO3/c1-2-13-7-5-3-4-6(10)8(7)9(11)12/h3-5,11-12H,2H2,1H3

Composition: C (39.24%), H (4.12%), B (4.41%), Br (32.63%), O (19.60%)

Molar Mass: 244.88

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.990637
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ASWKELCQKXPWGQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.44
Topological Polar Surface Area	49.69
Polarizability	20.75
Ring Count	1
Rotatable Bond Count	3

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