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methyl (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-iodopropanoate

methyl (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-iodopropanoate

CAS: 527696-77-1

Formula: C19H18INO4

SMILES: COC(=O)[C@@H](CI)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

IUPAC: methyl (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-iodopropanoate

InChI: InChI=1S/C19H18INO4/c1-24-18(22)17(10-20)21-19(23)25-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H,21,23)/t17-/m1/s1

Composition: C (50.57%), H (4.02%), I (28.12%), N (3.10%), O (14.18%)

Molar Mass: 451.26

Atom Count: 43

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 451.02805
Formal Charge 0
FSP3 0.26
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CWUVRMHOLORRBM-QGZVFWFLSA-N
Lipinski's Rule of Five 1
Molar Refractivity 102.33
Topological Polar Surface Area 64.63
Polarizability 40.98
Ring Count 3
Rotatable Bond Count 7

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97% <7 Days 527696-77-1 $172.80-$775.68$172.80$258.24$775.68
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