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3-[(4-iodophenyl)amino]-1-(4-methoxyphenyl)propan-1-one

3-[(4-iodophenyl)amino]-1-(4-methoxyphenyl)propan-1-one

CAS: 477320-56-2

Formula: C16H16INO2

SMILES: COC1=CC=C(C=C1)C(=O)CCNC1=CC=C(I)C=C1

IUPAC: 3-[(4-iodophenyl)amino]-1-(4-methoxyphenyl)propan-1-one

InChI: InChI=1S/C16H16INO2/c1-20-15-8-2-12(3-9-15)16(19)10-11-18-14-6-4-13(17)5-7-14/h2-9,18H,10-11H2,1H3

Composition: C (50.41%), H (4.23%), I (33.29%), N (3.67%), O (8.39%)

Molar Mass: 381.213

Atom Count: 36

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 381.02257
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey RHEBMVZRIRHGFK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.68
Topological Polar Surface Area 38.33
Polarizability 34.19
Ring Count 2
Rotatable Bond Count 6

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 477320-56-2 $51.35-$86.31$51.35$63.37$86.31
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