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4-bromo-2-(trifluoromethoxy)benzoic acid

4-bromo-2-(trifluoromethoxy)benzoic acid

CAS: 509142-48-7

Formula: C8H4BrF3O3

SMILES: OC(=O)C1=C(OC(F)(F)F)C=C(Br)C=C1

IUPAC: 4-bromo-2-(trifluoromethoxy)benzoic acid

InChI: InChI=1S/C8H4BrF3O3/c9-4-1-2-5(7(13)14)6(3-4)15-8(10,11)12/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 LMFGPGVCUFRLQC-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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Struchem co.,ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 509142-48-7 $346.00-$679.00$346.00$523.00$679.00
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Kinentia Biosciences LLC
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97% <14 Days 509142-48-7 $94.50-$354.38$94.50$354.38
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