ethyl 2-(5-nitroisoquinolin-6-yl)acetate

ethyl 2-(5-nitroisoquinolin-6-yl)acetate

CAS: 1050267-65-6

Formula: C13H12N2O4

SMILES: CCOC(=O)CC1=C(C2=CC=NC=C2C=C1)[N+]([O-])=O

IUPAC: ethyl 2-(5-nitroisoquinolin-6-yl)acetate

InChI: InChI=1S/C13H12N2O4/c1-2-19-12(16)7-9-3-4-10-8-14-6-5-11(10)13(9)15(17)18/h3-6,8H,2,7H2,1H3

Composition: C (60.00%), H (4.65%), N (10.76%), O (24.59%)

Molar Mass: 260.249

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	260.079706874
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	CHXCOXGAAHOYDZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.5
Topological Polar Surface Area	82.33
Polarizability	26.94
Ring Count	2
Rotatable Bond Count	5

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