3-iodonitrobenzene

3-iodonitrobenzene

CAS: 645-00-1

Formula: C6H4INO2

SMILES: [O-][N+](=O)C1=CC=CC(I)=C1

IUPAC: 1-iodo-3-nitrobenzene

InChI: InChI=1S/C6H4INO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H

Composition: C (28.94%), H (1.62%), I (50.96%), N (5.63%), O (12.85%)

Molar Mass: 249.007

Atom Count: 14

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	248.92867
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CBYAZOKPJYBCHE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.74
Topological Polar Surface Area	43.14
Polarizability	17.57
Ring Count	1
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	CAS		UnitPrice
98%	<14 Days	645-00-1		Quote Only