4-methoxy-5-[3-(morpholin-4-yl)propoxy]-2-nitrobenzonitrile

4-methoxy-5-[3-(morpholin-4-yl)propoxy]-2-nitrobenzonitrile

CAS: 675126-26-8

Formula: C15H19N3O5

SMILES: COC1=CC(=C(C=C1OCCCN1CCOCC1)C#N)[N+]([O-])=O

IUPAC: 4-methoxy-5-[3-(morpholin-4-yl)propoxy]-2-nitrobenzonitrile

InChI: InChI=1S/C15H19N3O5/c1-21-14-10-13(18(19)20)12(11-16)9-15(14)23-6-2-3-17-4-7-22-8-5-17/h9-10H,2-8H2,1H3

Composition: C (56.07%), H (5.96%), N (13.08%), O (24.89%)

Molar Mass: 321.333

Atom Count: 42

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	321.132470724
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
InChIKey	FYCDMKYKGPHRFW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.99
Topological Polar Surface Area	97.86
Polarizability	31.68
Ring Count	2
Rotatable Bond Count	7

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