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tert-butyl N-(5-iodopyrimidin-2-yl)carbamate

tert-butyl N-(5-iodopyrimidin-2-yl)carbamate

CAS: 1578264-17-1

Formula: C9H12IN3O2

SMILES: CC(C)(C)OC(=O)NC1=NC=C(I)C=N1

IUPAC: tert-butyl N-(5-iodopyrimidin-2-yl)carbamate

InChI: InChI=1S/C9H12IN3O2/c1-9(2,3)15-8(14)13-7-11-4-6(10)5-12-7/h4-5H,1-3H3,(H,11,12,13,14)

Composition: C (33.66%), H (3.77%), I (39.52%), N (13.09%), O (9.96%)

Molar Mass: 321.118

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 320.99742
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey IODZIUFJQHHKNA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.32
Topological Polar Surface Area 64.11
Polarizability 25
Ring Count 1
Rotatable Bond Count 3

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95% 1 Day 1578264-17-1 $206.39-$766.58$206.39$383.29$766.58
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