Text Search
Structure Search

4-(2,4-dinitrophenoxy)-3-iodo-5-methoxybenzaldehyde

4-(2,4-dinitrophenoxy)-3-iodo-5-methoxybenzaldehyde

CAS: 792947-74-1

Formula: C14H9IN2O7

SMILES: COC1=CC(C=O)=CC(I)=C1OC1=CC=C(C=C1N(=O)=O)[N+]([O-])=O

IUPAC: 4-(2,4-dinitrophenoxy)-3-iodo-5-methoxybenzaldehyde

InChI: InChI=1S/C14H9IN2O7/c1-23-13-5-8(7-18)4-10(15)14(13)24-12-3-2-9(16(19)20)6-11(12)17(21)22/h2-7H,1H3

Composition: C (37.86%), H (2.04%), I (28.57%), N (6.31%), O (25.22%)

Molar Mass: 444.137

Atom Count: 33

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 443.94545
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey QXJMMQAVZMOHQT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.35
Topological Polar Surface Area 124.49
Polarizability 34.35
Ring Count 2
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Crea-Chim UAB
Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 792947-74-1 $85.80$85.80
Request Quote