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tert-butyl N-(6-chloropyridin-3-yl)carbamate

tert-butyl N-(6-chloropyridin-3-yl)carbamate

CAS: 171178-45-3

Formula: C10H13ClN2O2

SMILES: CC(C)(C)OC(=O)NC1=CN=C(Cl)C=C1

IUPAC: tert-butyl N-(6-chloropyridin-3-yl)carbamate

InChI: InChI=1S/C10H13ClN2O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14)

Composition: C (52.52%), H (5.73%), Cl (15.50%), N (12.25%), O (13.99%)

Molar Mass: 228.68

Atom Count: 28

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 228.0665554
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey IRHNQVINMHHEIO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.06
Topological Polar Surface Area 51.22
Polarizability 22.5
Ring Count 1
Rotatable Bond Count 3

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