6-bromo-5-nitroisoquinoline

6-bromo-5-nitroisoquinoline

CAS: 850197-72-7

Formula: C9H5BrN2O2

SMILES: [O-][N+](=O)C1=C(Br)C=CC2=CN=CC=C12

IUPAC: 6-bromo-5-nitroisoquinoline

InChI: InChI=1S/C9H5BrN2O2/c10-8-2-1-6-5-11-4-3-7(6)9(8)12(13)14/h1-5H

Composition: C (42.72%), H (1.99%), Br (31.58%), N (11.07%), O (12.64%)

Molar Mass: 253.055

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	251.95344
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	COTVYJVDXKFNRB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.29
Topological Polar Surface Area	56.03
Polarizability	21.62
Ring Count	2
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	850197-72-7		$9.32-$69.35$9.32$10.35$16.56$69.35

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<14 Days	850197-72-7		$277.83$277.83

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	850197-72-7		$12.61-$901.62$12.61$22.70$64.31$261.03$467.83$901.62