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5-bromo-2-iodo-4-methylbenzoic acid

5-bromo-2-iodo-4-methylbenzoic acid

CAS: 2091451-28-2

Formula: C8H6BrIO2

SMILES: CC1=CC(I)=C(C=C1Br)C(O)=O

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

InChI: InChI=1S/C8H6BrIO2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3H,1H3,(H,11,12)

Composition: C (28.18%), H (1.77%), Br (23.44%), I (37.22%), O (9.39%)

Molar Mass: 340.942

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 339.85959
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BIFFHWPQUXSIBR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.34
Topological Polar Surface Area 37.3
Polarizability 22.83
Ring Count 1
Rotatable Bond Count 1

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97% <2 Days 2091451-28-2 $391.00-$1,144.25$391.00$569.25$1,144.25
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