2-fluoro-5-formylbenzoic acid

2-fluoro-5-formylbenzoic acid

CAS: 550363-85-4

Formula: C8H5FO3

SMILES: OC(=O)C1=CC(C=O)=CC=C1F

IUPAC: 2-fluoro-5-formylbenzoic acid

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