2,6-dinitrobenzaldehyde

2,6-dinitrobenzaldehyde

CAS: 606-31-5

Formula: C7H4N2O5

SMILES: [O-][N+](=O)C1=CC=CC(=C1C=O)[N+]([O-])=O

IUPAC: 2,6-dinitrobenzaldehyde

InChI: InChI=1S/C7H4N2O5/c10-4-5-6(8(11)12)2-1-3-7(5)9(13)14/h1-4H

Composition: C (42.87%), H (2.06%), N (14.28%), O (40.79%)

Molar Mass: 196.118

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	196.012021237
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	WHFZQNNDIJKLIO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.28
Topological Polar Surface Area	103.35
Polarizability	16.21
Ring Count	1
Rotatable Bond Count	3

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