Text Search
Structure Search

methyl (2S,4S)-4-(4-nitrophenoxy)pyrrolidine-2-carboxylate

methyl (2S,4S)-4-(4-nitrophenoxy)pyrrolidine-2-carboxylate

CAS: 218944-14-0

Formula: C12H14N2O5

SMILES: COC(=O)[C@@H]1C[C@@H](CN1)OC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: methyl (2S,4S)-4-(4-nitrophenoxy)pyrrolidine-2-carboxylate

InChI: InChI=1S/C12H14N2O5/c1-18-12(15)11-6-10(7-13-11)19-9-4-2-8(3-5-9)14(16)17/h2-5,10-11,13H,6-7H2,1H3/t10-,11-/m0/s1

Composition: C (54.13%), H (5.30%), N (10.52%), O (30.04%)

Molar Mass: 266.253

Atom Count: 33

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 266.090271559
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey GSUROSDDZDJRLX-QWRGUYRKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.73
Topological Polar Surface Area 90.7
Polarizability 25.57
Ring Count 2
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 218944-14-0 $219.25$219.25
Request Quote