4-(2-bromoethoxy)phenylboronic acid

4-(2-bromoethoxy)phenylboronic acid

CAS: 913836-06-3

Formula: C8H10BBrO3

SMILES: OB(O)C1=CC=C(OCCBr)C=C1

IUPAC: [4-(2-bromoethoxy)phenyl]boronic acid

InChI: InChI=1S/C8H10BBrO3/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,11-12H,5-6H2

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	IJUQRBJDVKMDFJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.39
Topological Polar Surface Area	49.69
Polarizability	20.66
Ring Count	1
Rotatable Bond Count	4

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