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4'-methoxy-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid

4'-methoxy-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid

CAS: 1261902-93-5

Formula: C15H11F3O3

SMILES: COC1=CC=C(C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(O)=O

IUPAC: 4'-methoxy-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid

InChI: InChI=1S/C15H11F3O3/c1-21-13-4-2-9(3-5-13)10-6-11(14(19)20)8-12(7-10)15(16,17)18/h2-8H,1H3,(H,19,20)

Composition: C (60.82%), H (3.74%), F (19.24%), O (16.20%)

Molar Mass: 296.245

Atom Count: 32

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 296.066028703
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CJIXZYYEHIKXJX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.89
Topological Polar Surface Area 46.53
Polarizability 27.15
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1261902-93-5 $300.15-$1,224.75$300.15$734.85$1,224.75
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