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4-chloro-5-iodo-2-methylbenzoic acid

4-chloro-5-iodo-2-methylbenzoic acid

CAS: 1399182-03-6

Formula: C8H6ClIO2

SMILES: CC1=C(C=C(I)C(Cl)=C1)C(O)=O

IUPAC: 4-chloro-5-iodo-2-methylbenzoic acid

InChI: InChI=1S/C8H6ClIO2/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3H,1H3,(H,11,12)

Composition: C (32.41%), H (2.04%), Cl (11.96%), I (42.80%), O (10.79%)

Molar Mass: 296.49

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 295.9101
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey JFISQRPYNOQTAD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.52
Topological Polar Surface Area 37.3
Polarizability 21.71
Ring Count 1
Rotatable Bond Count 1

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97% <2 Days 1399182-03-6 $201.25-$1,489.25$201.25$287.50$914.25$1,489.25
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