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2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzoic acid

2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzoic acid

CAS: 852952-20-6

Formula: C13H7ClF3NO3

SMILES: OC(=O)C1=CC=CC=C1OC1=NC=C(C=C1Cl)C(F)(F)F

IUPAC: 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzoic acid

InChI: InChI=1S/C13H7ClF3NO3/c14-9-5-7(13(15,16)17)6-18-11(9)21-10-4-2-1-3-8(10)12(19)20/h1-6H,(H,19,20)

Composition: C (49.16%), H (2.22%), Cl (11.16%), F (17.94%), N (4.41%), O (15.11%)

Molar Mass: 317.65

Atom Count: 28

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 317.0066553
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SHJBGWACJFQUKQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.49
Topological Polar Surface Area 59.42
Polarizability 25.38
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 852952-20-6 $51.35-$86.31$51.35$63.37$86.31
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