4-bromo-1H-indol-2-ylboronic acid

4-bromo-1H-indol-2-ylboronic acid

CAS: 2408430-18-0

Formula: C8H7BBrNO2

SMILES: OB(O)C1=CC2=C(Br)C=CC=C2N1

IUPAC: (4-bromo-1H-indol-2-yl)boronic acid

InChI: InChI=1S/C8H7BBrNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-4,11-13H

Composition: C (40.06%), H (2.94%), B (4.51%), Br (33.31%), N (5.84%), O (13.34%)

Molar Mass: 239.86

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	238.975321
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
InChIKey	VMOZCNGZZJMSBL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.57
Topological Polar Surface Area	56.25
Polarizability	21.48
Ring Count	2
Rotatable Bond Count	1

Suppliers

J&W PHARMLAB LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	2408430-18-0		$687.70-$2,297.70$687.70$2,297.70