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tert-butyl N-(tert-butoxycarbonyl)-N-(4-chloropyrimidin-2-yl)carbamate

tert-butyl N-(tert-butoxycarbonyl)-N-(4-chloropyrimidin-2-yl)carbamate

CAS: 1464788-84-8

Formula: C14H20ClN3O4

SMILES: CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1=NC(Cl)=CC=N1

IUPAC: tert-butyl N-[(tert-butoxy)carbonyl]-N-(4-chloropyrimidin-2-yl)carbamate

InChI: InChI=1S/C14H20ClN3O4/c1-13(2,3)21-11(19)18(12(20)22-14(4,5)6)10-16-8-7-9(15)17-10/h7-8H,1-6H3

Composition: C (50.99%), H (6.11%), Cl (10.75%), N (12.74%), O (19.41%)

Molar Mass: 329.78

Atom Count: 42

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 329.1142338
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey LTWPYVSBBSMSNR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.04
Topological Polar Surface Area 81.62
Polarizability 31.68
Ring Count 1
Rotatable Bond Count 5

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