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5-bromo-2-(trifluoromethoxy)benzoic acid

5-bromo-2-(trifluoromethoxy)benzoic acid

CAS: 403646-47-9

Formula: C8H4BrF3O3

SMILES: OC(=O)C1=CC(Br)=CC=C1OC(F)(F)F

IUPAC: 5-bromo-2-(trifluoromethoxy)benzoic acid

InChI: InChI=1S/C8H4BrF3O3/c9-4-1-2-6(15-8(10,11)12)5(3-4)7(13)14/h1-3H,(H,13,14)

Composition: C (33.71%), H (1.41%), Br (28.03%), F (20.00%), O (16.84%)

Molar Mass: 285.016

Atom Count: 19

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 283.929591
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KKBZEPNOWXEZSC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.01
Topological Polar Surface Area 46.53
Polarizability 18.06
Ring Count 1
Rotatable Bond Count 3

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98% <5 Days 403646-47-9 $45.40-$520.79$45.40$133.67$520.79
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