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tert-butyl N-(6-chloropyrazin-2-yl)carbamate

tert-butyl N-(6-chloropyrazin-2-yl)carbamate

CAS: 652153-48-5

Formula: C9H12ClN3O2

SMILES: CC(C)(C)OC(=O)NC1=CN=CC(Cl)=N1

IUPAC: tert-butyl N-(6-chloropyrazin-2-yl)carbamate

InChI: InChI=1S/C9H12ClN3O2/c1-9(2,3)15-8(14)13-7-5-11-4-6(10)12-7/h4-5H,1-3H3,(H,12,13,14)

Composition: C (47.07%), H (5.27%), Cl (15.44%), N (18.30%), O (13.93%)

Molar Mass: 229.66

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 229.0618043
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey CFNQQJOHQAKFCF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.22
Topological Polar Surface Area 64.11
Polarizability 21.68
Ring Count 1
Rotatable Bond Count 3

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95% <5 Days 652153-48-5 $517.00-$1,380.00$517.00$600.00$1,380.00
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