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tert-butyl N-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl}carbamate

tert-butyl N-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl}carbamate

CAS: 1354448-68-2

Formula: C15H19ClF3N3O2

SMILES: CC(C)(C)OC(=O)NC1CCN(C1)C1=C(Cl)C=C(C=N1)C(F)(F)F

IUPAC: tert-butyl N-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl}carbamate

InChI: InChI=1/C15H19ClF3N3O2/c1-14(2,3)24-13(23)21-10-4-5-22(8-10)12-11(16)6-9(7-20-12)15(17,18)19/h6-7,10H,4-5,8H2,1-3H3,(H,21,23)

Composition: C (49.25%), H (5.24%), Cl (9.69%), F (15.58%), N (11.49%), O (8.75%)

Molar Mass: 365.78

Atom Count: 43

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 365.1117891
Formal Charge 0
FSP3 0.6
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey UUMOFWWTPBHKQD-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.81
Topological Polar Surface Area 54.46
Polarizability 31.51
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS UnitPrice
98% <10 Days 1354448-68-2 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1354448-68-2 $51.35-$225.06$51.35$63.37$86.31$143.12$225.06
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