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4-fluoro-2-formylbenzoic acid

4-fluoro-2-formylbenzoic acid

CAS: 1186047-15-3

Formula: C8H5FO3

SMILES: OC(=O)C1=CC=C(F)C=C1C=O

IUPAC: 4-fluoro-2-formylbenzoic acid

InChI: InChI=1S/C8H5FO3/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-4H,(H,11,12)

Composition: C (57.15%), H (3.00%), F (11.30%), O (28.55%)

Molar Mass: 168.123

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 168.022272184
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KLAAXTKTDRQPOF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.11
Topological Polar Surface Area 54.37
Polarizability 14.37
Ring Count 1
Rotatable Bond Count 2

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