methyl 3-fluoro-5-iodo-4-methylbenzoate

methyl 3-fluoro-5-iodo-4-methylbenzoate

CAS: 861905-21-7

Formula: C9H8FIO2

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

IUPAC: methyl 3-fluoro-5-iodo-4-methylbenzoate

InChI: InChI=1S/C9H8FIO2/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4H,1-2H3

Composition: C (36.76%), H (2.74%), F (6.46%), I (43.16%), O (10.88%)

Molar Mass: 294.064

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	293.9553
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	ADMOODHDOJVFMC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.7
Topological Polar Surface Area	26.3
Polarizability	21.59
Ring Count	1
Rotatable Bond Count	2

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