2-fluoro-4,5-dimethoxybenzoic acid

2-fluoro-4,5-dimethoxybenzoic acid

CAS: 79474-35-4

Formula: C9H9FO4

SMILES: COC1=CC(F)=C(C=C1OC)C(O)=O

IUPAC: 2-fluoro-4,5-dimethoxybenzoic acid

InChI: InChI=1S/C9H9FO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H,11,12)

Composition: C (54.00%), H (4.53%), F (9.49%), O (31.97%)

Molar Mass: 200.165

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.048486933
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DFGPPMUENMUUDV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.46
Topological Polar Surface Area	55.76
Polarizability	17.54
Ring Count	1
Rotatable Bond Count	3

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