2'-fluoro-5-methoxy-[1,1'-biphenyl]-3,4'-dicarboxylic acid

2'-fluoro-5-methoxy-[1,1'-biphenyl]-3,4'-dicarboxylic acid

CAS: 1381944-79-1

Formula: C15H11FO5

SMILES: COC1=CC(=CC(=C1)C1=CC=C(C=C1F)C(O)=O)C(O)=O

IUPAC: 2'-fluoro-5-methoxy-[1,1'-biphenyl]-3,4'-dicarboxylic acid

InChI: InChI=1S/C15H11FO5/c1-21-11-5-9(4-10(6-11)15(19)20)12-3-2-8(14(17)18)7-13(12)16/h2-7H,1H3,(H,17,18)(H,19,20)

Composition: C (62.07%), H (3.82%), F (6.55%), O (27.56%)

Molar Mass: 290.246

Atom Count: 32

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	290.059051617
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	OTLALIDSXJHJRX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.39
Topological Polar Surface Area	83.83
Polarizability	28.16
Ring Count	2
Rotatable Bond Count	4

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