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methyl 3-fluoro-6-iodo-2-methylbenzoate

methyl 3-fluoro-6-iodo-2-methylbenzoate

CAS: 1262417-94-6

Formula: C9H8FIO2

SMILES: COC(=O)C1=C(I)C=CC(F)=C1C

IUPAC: methyl 3-fluoro-6-iodo-2-methylbenzoate

InChI: InChI=1S/C9H8FIO2/c1-5-6(10)3-4-7(11)8(5)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 WRDOLMYRVVIYEG-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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