2-(2-bromoethyl)phenylboronic acid

2-(2-bromoethyl)phenylboronic acid

CAS: 850568-82-0

Formula: C8H10BBrO2

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

IUPAC: [2-(2-bromoethyl)phenyl]boronic acid

InChI: InChI=1S/C8H10BBrO2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,11-12H,5-6H2

Composition: C (41.98%), H (4.40%), B (4.72%), Br (34.91%), O (13.98%)

Molar Mass: 228.88

Atom Count: 22

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	227.995723
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	XIPVXKZTNMWBDZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.21
Topological Polar Surface Area	40.46
Polarizability	19.84
Ring Count	1
Rotatable Bond Count	3

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