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methyl 3-bromo-2-fluoro-6-iodobenzoate

methyl 3-bromo-2-fluoro-6-iodobenzoate

Formula: C8H5BrFIO2

SMILES: COC(=O)C1=C(I)C=CC(Br)=C1F

IUPAC: methyl 3-bromo-2-fluoro-6-iodobenzoate

InChI: InChI=1S/C8H5BrFIO2/c1-13-8(12)6-5(11)3-2-4(9)7(6)10/h2-3H,1H3

Composition: C (26.77%), H (1.40%), Br (22.26%), F (5.29%), I (35.36%), O (8.91%)

Molar Mass: 358.933

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 357.85017
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey FYRSGGGTNFARPF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.29
Topological Polar Surface Area 26.3
Polarizability 23.06
Ring Count 1
Rotatable Bond Count 2

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98% <10 Days C8H5BrFIO2 Quote Only
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