1,8-dinitronaphthalene

1,8-dinitronaphthalene

CAS: 602-38-0

Formula: C10H6N2O4

SMILES: [O-][N+](=O)C1=CC=CC2=CC=CC(=C12)[N+]([O-])=O

IUPAC: 1,8-dinitronaphthalene

InChI: InChI=1S/C10H6N2O4/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h1-6H

Composition: C (55.05%), H (2.77%), N (12.84%), O (29.33%)

Molar Mass: 218.168

Atom Count: 22

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	218.032756681
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	AVCSMMMOCOTIHF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.15
Topological Polar Surface Area	86.28
Polarizability	21.58
Ring Count	2
Rotatable Bond Count	2

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