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3'-acetyl-6-fluoro-[1,1'-biphenyl]-3-carboxylic acid

3'-acetyl-6-fluoro-[1,1'-biphenyl]-3-carboxylic acid

CAS: 1261991-51-8

Formula: C15H11FO3

SMILES: CC(=O)C1=CC=CC(=C1)C1=CC(=CC=C1F)C(O)=O

IUPAC: 3'-acetyl-6-fluoro-[1,1'-biphenyl]-3-carboxylic acid

InChI: InChI=1S/C15H11FO3/c1-9(17)10-3-2-4-11(7-10)13-8-12(15(18)19)5-6-14(13)16/h2-8H,1H3,(H,18,19)

Composition: C (69.76%), H (4.29%), F (7.36%), O (18.59%)

Molar Mass: 258.248

Atom Count: 30

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 258.069222377
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PTEJUUKQAVSEOM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.07
Topological Polar Surface Area 54.37
Polarizability 26.99
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <6 Days 1261991-51-8 $409.40-$1,061.45$409.40$1,061.45
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