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3-fluoro-4'-propyl-[1,1'-biphenyl]-4-ylboronic acid

3-fluoro-4'-propyl-[1,1'-biphenyl]-4-ylboronic acid

CAS: 909709-42-8

Formula: C15H16BFO2

SMILES: CCCC1=CC=C(C=C1)C1=CC=C(B(O)O)C(F)=C1

IUPAC: {3-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl}boronic acid

InChI: InChI=1S/C15H16BFO2/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(16(18)19)15(17)10-13/h4-10,18-19H,2-3H2,1H3

Composition: C (69.80%), H (6.25%), B (4.19%), F (7.36%), O (12.40%)

Molar Mass: 258.1

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 258.122738
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey XZGCBSYWWZAXRC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.2
Topological Polar Surface Area 40.46
Polarizability 29.59
Ring Count 2
Rotatable Bond Count 4

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