4-(2,4-dinitrophenoxy)-3-ethoxy-5-iodobenzaldehyde

4-(2,4-dinitrophenoxy)-3-ethoxy-5-iodobenzaldehyde

CAS: 792945-74-5

Formula: C15H11IN2O7

SMILES: CCOC1=CC(C=O)=CC(I)=C1OC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O

IUPAC: 4-(2,4-dinitrophenoxy)-3-ethoxy-5-iodobenzaldehyde

InChI: InChI=1S/C15H11IN2O7/c1-2-24-14-6-9(8-19)5-11(16)15(14)25-13-4-3-10(17(20)21)7-12(13)18(22)23/h3-8H,2H2,1H3

Composition: C (39.32%), H (2.42%), I (27.70%), N (6.11%), O (24.44%)

Molar Mass: 458.164

Atom Count: 36

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	457.9611
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	JSVOGRPAVSHZJG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.1
Topological Polar Surface Area	121.81
Polarizability	36.15
Ring Count	2
Rotatable Bond Count	7

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