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3-(3-nitrophenoxy)pyrrolidine hydrochloride

3-(3-nitrophenoxy)pyrrolidine hydrochloride

CAS: 1425040-08-9

Formula: C10H13ClN2O3

SMILES: Cl.[O-][N+](=O)C1=CC=CC(OC2CCNC2)=C1

IUPAC: 3-(3-nitrophenoxy)pyrrolidine hydrochloride

InChI: InChI=1/C10H12N2O3.ClH/c13-12(14)8-2-1-3-9(6-8)15-10-4-5-11-7-10;/h1-3,6,10-11H,4-5,7H2;1H

Composition: C (49.09%), H (5.36%), Cl (14.49%), N (11.45%), O (19.62%)

Molar Mass: 244.68

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 244.06147
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey IGEARFLNSYGZDV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.13
Topological Polar Surface Area 64.4
Polarizability 21.05
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1425040-08-9 $374.33-$575.39$374.33$575.39
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