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methyl 3-fluoro-4-iodobenzoate

methyl 3-fluoro-4-iodobenzoate

CAS: 1027513-46-7

Formula: C8H6FIO2

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

IUPAC: methyl 3-fluoro-4-iodobenzoate

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