4-chloro-3-iodobenzoic acid

4-chloro-3-iodobenzoic acid

CAS: 42860-04-8

Formula: C7H4ClIO2

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

IUPAC: 4-chloro-3-iodobenzoic acid

InChI: InChI=1S/C7H4ClIO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)

Composition: C (29.77%), H (1.43%), Cl (12.55%), I (44.93%), O (11.33%)

Molar Mass: 282.46

Atom Count: 15

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	281.89445
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	SDRURVZKYHGDAP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.48
Topological Polar Surface Area	37.3
Polarizability	19.99
Ring Count	1
Rotatable Bond Count	1

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95%	<5 Days	42860-04-8		$35.31-$220.68$35.31$46.66$69.36$94.58$220.68