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tert-butyl N-{[6-chloro-5-(2,2-dimethylpropanamido)pyridin-2-yl]methyl}carbamate

tert-butyl N-{[6-chloro-5-(2,2-dimethylpropanamido)pyridin-2-yl]methyl}carbamate

CAS: 1142192-00-4

Formula: C16H24ClN3O3

SMILES: CC(C)(C)OC(=O)NCC1=NC(Cl)=C(NC(=O)C(C)(C)C)C=C1

IUPAC: tert-butyl N-{[6-chloro-5-(2,2-dimethylpropanamido)pyridin-2-yl]methyl}carbamate

InChI: InChI=1S/C16H24ClN3O3/c1-15(2,3)13(21)20-11-8-7-10(19-12(11)17)9-18-14(22)23-16(4,5)6/h7-8H,9H2,1-6H3,(H,18,22)(H,20,21)

Composition: C (56.22%), H (7.08%), Cl (10.37%), N (12.29%), O (14.04%)

Molar Mass: 341.84

Atom Count: 47

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 341.1506193
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey FNXWDMLQFVZMRQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.16
Topological Polar Surface Area 80.32
Polarizability 34.78
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1142192-00-4 $253.47-$758.28$253.47$758.28
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