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2-methyl-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylic acid

2-methyl-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylic acid

CAS: 1008773-97-4

Formula: C15H11F3O2

SMILES: CC1=CC(=CC=C1C1=CC=CC(=C1)C(F)(F)F)C(O)=O

IUPAC: 2-methyl-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylic acid

InChI: InChI=1S/C15H11F3O2/c1-9-7-11(14(19)20)5-6-13(9)10-3-2-4-12(8-10)15(16,17)18/h2-8H,1H3,(H,19,20)

Composition: C (64.29%), H (3.96%), F (20.34%), O (11.42%)

Molar Mass: 280.246

Atom Count: 31

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 280.071114083
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey LCVZKPOQZIJLSS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.47
Topological Polar Surface Area 37.3
Polarizability 26.34
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1008773-97-4 $409.40-$1,713.50$409.40$1,061.45$1,713.50
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