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methyl 3-iodo-4-methylthiophene-2-carboxylate

methyl 3-iodo-4-methylthiophene-2-carboxylate

CAS: 845878-92-4

Formula: C7H7IO2S

SMILES: COC(=O)C1=C(I)C(C)=CS1

IUPAC: methyl 3-iodo-4-methylthiophene-2-carboxylate

InChI: InChI=1S/C7H7IO2S/c1-4-3-11-6(5(4)8)7(9)10-2/h3H,1-2H3

Composition: C (29.80%), H (2.50%), I (44.99%), O (11.34%), S (11.36%)

Molar Mass: 282.1

Atom Count: 18

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 281.92115
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey OODUKIXZHDMZME-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.38
Topological Polar Surface Area 26.3
Polarizability 20.6
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 845878-92-4 $23.58-$3,742.20$23.58$41.28$82.55$247.67$442.26$972.97$1,945.94$3,742.20
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