2-(bromomethyl)phenylboronic acid

2-(bromomethyl)phenylboronic acid

CAS: 91983-14-1

Formula: C7H8BBrO2

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

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

InChI: InChI=1S/C7H8BBrO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,10-11H,5H2

Composition: C (39.13%), H (3.75%), B (5.03%), Br (37.19%), O (14.89%)

Molar Mass: 214.85

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	213.980072
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	MYVJCOQGXCONPE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.45
Topological Polar Surface Area	40.46
Polarizability	18.1
Ring Count	1
Rotatable Bond Count	2

Suppliers

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<14 Days	91983-14-1		$94.50-$226.80$94.50$226.80