2-iodo-1-methanesulfonyl-4-methoxybenzene

2-iodo-1-methanesulfonyl-4-methoxybenzene

CAS: 1965309-05-0

Formula: C8H9IO3S

SMILES: COC1=CC=C(C(I)=C1)S(C)(=O)=O

IUPAC: 2-iodo-1-methanesulfonyl-4-methoxybenzene

InChI: InChI=1S/C8H9IO3S/c1-12-6-3-4-8(7(9)5-6)13(2,10)11/h3-5H,1-2H3

Composition: C (30.79%), H (2.91%), I (40.66%), O (15.38%), S (10.27%)

Molar Mass: 312.12

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	311.93171
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KMEZPWYKZGQQOQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.89
Topological Polar Surface Area	43.37
Polarizability	24.15
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1965309-05-0		$37.83-$190.41$37.83$68.09$190.41

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	1965309-05-0		$125.35-$1,147.70$125.35$143.75$171.35$228.85$342.70$1,147.70