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tert-butyl N-(2-chloro-5-iodopyrimidin-4-yl)carbamate

tert-butyl N-(2-chloro-5-iodopyrimidin-4-yl)carbamate

CAS: 1359655-47-2

Formula: C9H11ClIN3O2

SMILES: CC(C)(C)OC(=O)NC1=NC(Cl)=NC=C1I

IUPAC: tert-butyl N-(2-chloro-5-iodopyrimidin-4-yl)carbamate

InChI: InChI=1S/C9H11ClIN3O2/c1-9(2,3)16-8(15)14-6-5(11)4-12-7(10)13-6/h4H,1-3H3,(H,12,13,14,15)

Composition: C (30.40%), H (3.12%), Cl (9.97%), I (35.69%), N (11.82%), O (9.00%)

Molar Mass: 355.56

Atom Count: 27

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 354.95845
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey UVIJHKDRWTXRRD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.19
Topological Polar Surface Area 64.11
Polarizability 27.12
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS UnitPrice
98% <10 Days 1359655-47-2 Quote Only
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95% <5 Days 1359655-47-2 $121.06-$510.71$121.06$204.28$510.71
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