methyl 2-hydroxy-5-iodo-4-(trifluoromethyl)benzoate

methyl 2-hydroxy-5-iodo-4-(trifluoromethyl)benzoate

CAS: 1131587-48-8

Formula: C9H6F3IO3

SMILES: COC(=O)C1=C(O)C=C(C(I)=C1)C(F)(F)F

IUPAC: methyl 2-hydroxy-5-iodo-4-(trifluoromethyl)benzoate

InChI: InChI=1S/C9H6F3IO3/c1-16-8(15)4-2-6(13)5(3-7(4)14)9(10,11)12/h2-3,14H,1H3

Composition: C (31.24%), H (1.75%), F (16.47%), I (36.67%), O (13.87%)

Molar Mass: 346.044

Atom Count: 22

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	345.93137
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RKMFBGVZSJDQRC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.4
Topological Polar Surface Area	46.53
Polarizability	22.33
Ring Count	1
Rotatable Bond Count	3

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