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3-fluoro-2-methoxybenzoic acid

3-fluoro-2-methoxybenzoic acid

CAS: 106428-05-1

Formula: C8H7FO3

SMILES: COC1=C(F)C=CC=C1C(O)=O

IUPAC: 3-fluoro-2-methoxybenzoic acid

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