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methyl 2-(4-amino-3-iodophenyl)-2-methylpropanoate

methyl 2-(4-amino-3-iodophenyl)-2-methylpropanoate

CAS: 756813-88-4

Formula: C11H14INO2

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

IUPAC: methyl 2-(4-amino-3-iodophenyl)-2-methylpropanoate

InChI: InChI=1S/C11H14INO2/c1-11(2,10(14)15-3)7-4-5-9(13)8(12)6-7/h4-6H,13H2,1-3H3

Composition: C (41.40%), H (4.42%), I (39.76%), N (4.39%), O (10.03%)

Molar Mass: 319.142

Atom Count: 29

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 319.00692
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey UETQLYCUPBNAJN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.27
Topological Polar Surface Area 52.32
Polarizability 26.6
Ring Count 1
Rotatable Bond Count 3

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 756813-88-4 $51.35-$1,347.05$51.35$63.37$86.31$292.79$449.02$1,347.05
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