4-fluoro-2-methoxybenzoic acid

4-fluoro-2-methoxybenzoic acid

CAS: 395-82-4

Formula: C8H7FO3

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

IUPAC: 4-fluoro-2-methoxybenzoic acid

InChI: InChI=1S/C8H7FO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H,10,11)

Composition: C (56.48%), H (4.15%), F (11.17%), O (28.21%)

Molar Mass: 170.139

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.037922248
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UUQDNAPKWPKHMK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.99
Topological Polar Surface Area	46.53
Polarizability	14.97
Ring Count	1
Rotatable Bond Count	2

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