2-fluoro-5-iodo-4-methoxybenzoic acid

2-fluoro-5-iodo-4-methoxybenzoic acid

CAS: 1000162-78-6

Formula: C8H6FIO3

SMILES: COC1=CC(F)=C(C=C1I)C(O)=O

IUPAC: 2-fluoro-5-iodo-4-methoxybenzoic acid

InChI: InChI=1S/C8H6FIO3/c1-13-7-3-5(9)4(8(11)12)2-6(7)10/h2-3H,1H3,(H,11,12)

Composition: C (32.46%), H (2.04%), F (6.42%), I (42.87%), O (16.21%)

Molar Mass: 296.036

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	295.93457
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MDNCZSISNHLNOY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.36
Topological Polar Surface Area	46.53
Polarizability	20.45
Ring Count	1
Rotatable Bond Count	2

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