4-iodo-2H-1,3-benzodioxole

4-iodo-2H-1,3-benzodioxole

CAS: 849517-65-3

Formula: C7H5IO2

SMILES: IC1=CC=CC2=C1OCO2

IUPAC: 4-iodo-2H-1,3-benzodioxole

InChI: InChI=1S/C7H5IO2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3H,4H2

Composition: C (33.90%), H (2.03%), I (51.17%), O (12.90%)

Molar Mass: 248.019

Atom Count: 15

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	247.93342
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NEMFWXWQUHOSSH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.19
Topological Polar Surface Area	18.46
Polarizability	18.1
Ring Count	2
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	849517-65-3		$45.40-$817.13$45.40$70.62$197.98$817.13