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tert-butyl N-(6-chloro-3-nitropyridin-2-yl)carbamate

tert-butyl N-(6-chloro-3-nitropyridin-2-yl)carbamate

CAS: 1017782-13-6

Formula: C10H12ClN3O4

SMILES: CC(C)(C)OC(=O)NC1=NC(Cl)=CC=C1[N+]([O-])=O

IUPAC: tert-butyl N-(6-chloro-3-nitropyridin-2-yl)carbamate

InChI: InChI=1S/C10H12ClN3O4/c1-10(2,3)18-9(15)13-8-6(14(16)17)4-5-7(11)12-8/h4-5H,1-3H3,(H,12,13,15)

Composition: C (43.89%), H (4.42%), Cl (12.95%), N (15.35%), O (23.38%)

Molar Mass: 273.67

Atom Count: 30

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 273.0516336
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey PVLBDPVLUGVJJF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.69
Topological Polar Surface Area 94.36
Polarizability 24.54
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1017782-13-6 $165.60-$3,447.70$165.60$216.20$316.25$516.35$917.70$3,447.70
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