5-fluoro-3-methyl-1-benzofuran-2-carboxylic acid

5-fluoro-3-methyl-1-benzofuran-2-carboxylic acid

CAS: 81718-76-5

Formula: C10H7FO3

SMILES: CC1=C(OC2=CC=C(F)C=C12)C(O)=O

IUPAC: 5-fluoro-3-methyl-1-benzofuran-2-carboxylic acid

InChI: InChI=1S/C10H7FO3/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13)

Composition: C (61.86%), H (3.63%), F (9.78%), O (24.72%)

Molar Mass: 194.161

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	194.037922248
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GMIDGDXRCTUPNM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.29
Topological Polar Surface Area	50.44
Polarizability	18.51
Ring Count	2
Rotatable Bond Count	1

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