ethyl 3-chloro-4-iodobenzoate

ethyl 3-chloro-4-iodobenzoate

CAS: 874831-02-4

Formula: C9H8ClIO2

SMILES: CCOC(=O)C1=CC=C(I)C(Cl)=C1

IUPAC: ethyl 3-chloro-4-iodobenzoate

InChI: InChI=1S/C9H8ClIO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2H2,1H3

Composition: C (34.81%), H (2.60%), Cl (11.42%), I (40.87%), O (10.30%)

Molar Mass: 310.52

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	309.92575
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	MOHOSKBBZXBCTR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61
Topological Polar Surface Area	26.3
Polarizability	23.79
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	874831-02-4		$20.18-$233.29$20.18$30.26$64.31$233.29