methyl 2-fluoro-6-iodobenzoate

methyl 2-fluoro-6-iodobenzoate

CAS: 146014-66-6

Formula: C8H6FIO2

SMILES: COC(=O)C1=C(F)C=CC=C1I

IUPAC: methyl 2-fluoro-6-iodobenzoate

InChI: InChI=1S/C8H6FIO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3

Composition: C (34.31%), H (2.16%), F (6.78%), I (45.32%), O (11.43%)

Molar Mass: 280.037

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	279.93965
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	IGNCVPBULCJIRO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.66
Topological Polar Surface Area	26.3
Polarizability	19.88
Ring Count	1
Rotatable Bond Count	2

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