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ethyl 4-cyano-3-iodobenzoate

ethyl 4-cyano-3-iodobenzoate

Formula: C10H8INO2

SMILES: CCOC(=O)C1=CC(I)=C(C=C1)C#N

IUPAC: ethyl 4-cyano-3-iodobenzoate

InChI: InChI=1S/C10H8INO2/c1-2-14-10(13)7-3-4-8(6-12)9(11)5-7/h3-5H,2H2,1H3

Composition: C (39.89%), H (2.68%), I (42.15%), N (4.65%), O (10.63%)

Molar Mass: 301.083

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 300.95997
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey VJNQGXXEHMTDGA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.92
Topological Polar Surface Area 50.09
Polarizability 23.66
Ring Count 1
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C10H8INO2 Quote Only
LabNetwork INC
Purity LeadTime Formula PacketSize UnitPrice
95% 1 Day C10H8INO2 $724.95$724.95
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