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2,4-dinitrobenzaldehyde

2,4-dinitrobenzaldehyde

CAS: 528-75-6

Formula: C7H4N2O5

SMILES: O=CC1=CC=C(C=C1N(=O)=O)N(=O)=O

IUPAC: 2,4-dinitrobenzaldehyde

InChI: InChI=1S/C7H4N2O5/c10-4-5-1-2-6(8(11)12)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 ZILXIZUBLXVYPI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.29
Topological Polar Surface Area 108.71
Polarizability 16.21
Ring Count 1
Rotatable Bond Count 3

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